ethyl 2-[7-chloranyl-1-(4-cyclohexylphenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[7-chloranyl-1-(4-cyclohexylphenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-1-(4-cyclohexylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[7-chloro-1-[(4-cyclohexylphenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-1-(4-cyclohexylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[7-chloro-1-(4-cyclohexylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid ethyl ester Formula: C27H32ClNO3 MolecularWeight: 454.00088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)CC1CCCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C27H32ClNO3/c1-2-32-26(30)17-22-9-6-16-29(25-15-14-23(28)18-24(22)25)27(31)21-12-10-20(11-13-21)19-7-4-3-5-8-19/h10-15,18-19,22H,2-9,16-17H2,1H3