[1-[2-chloranyl-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [1-[2-chloranyl-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [1-[2-chloro-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-(tert-butoxycarbonylamino)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [1-[[2-chloro-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester IUPAC Name: [1-[2-chloro-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)propionic acid [1-[2-chloro-4-(o-toluoylamino)benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester Formula: C33H36ClN3O6 MolecularWeight: 606.10844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)OC(=O)C(C)NC(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)OC(=O)C(C)NC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C33H36ClN3O6/c1-20-11-6-7-12-23(20)29(38)36-22-16-17-24(26(34)19-22)30(39)37-18-10-15-28(25-13-8-9-14-27(25)37)42-31(40)21(2)35-32(41)43-33(3,4)5/h6-9,11-14,16-17,19,21,28H,10,15,18H2,1-5H3,(H,35,41)(H,36,38)