methyl 2-[[1-[2-chloranyl-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-7-fluoranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]-3-oxidanylidene-3-pyrrolidin-1-yl-propanoate

Systemtic Name: methyl 2-[[1-[2-chloranyl-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-7-fluoranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]-3-oxidanylidene-3-pyrrolidin-1-yl-propanoate Openeye Name: methyl 2-[[1-[2-chloro-4-[(2-methylbenzoyl)amino]benzoyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]-3-oxo-3-pyrrolidin-1-yl-propanoate CAS Name: 2-[[1-[[2-chloro-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]-3-oxo-3-(1-pyrrolidinyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-[2-chloro-4-[(2-methylbenzoyl)amino]benzoyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]-3-oxo-3-pyrrolidin-1-ylpropanoate Traditional Name: 2-[[1-[2-chloro-4-(o-toluoylamino)benzoyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]-3-keto-3-pyrrolidino-propionic acid methyl ester Formula: C33H33ClFN3O6 MolecularWeight: 622.083023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)F)OC(C(=O)N5CCCC5)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)F)OC(C(=O)N5CCCC5)C(=O)OC)Cl

InChI

InChI=1S/C33H33ClFN3O6/c1-20-8-3-4-9-23(20)30(39)36-22-12-13-24(26(34)19-22)31(40)38-17-7-10-28(25-18-21(35)11-14-27(25)38)44-29(33(42)43-2)32(41)37-15-5-6-16-37/h3-4,8-9,11-14,18-19,28-29H,5-7,10,15-17H2,1-2H3,(H,36,39)