ethyl 2-[7-chloranyl-1-[2-methyl-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[7-chloranyl-1-[2-methyl-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[7-chloro-1-[[2-methyl-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[7-chloro-1-[2-methyl-4-(o-toluoylamino)benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid ethyl ester Formula: C30H31ClN2O4 MolecularWeight: 519.03114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)CC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4C)C

InChI

InChI=1S/C30H31ClN2O4/c1-4-37-28(34)17-21-9-7-15-33(27-14-11-22(31)18-26(21)27)30(36)25-13-12-23(16-20(25)3)32-29(35)24-10-6-5-8-19(24)2/h5-6,8,10-14,16,18,21H,4,7,9,15,17H2,1-3H3,(H,32,35)