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

Systemtic Name: methyl 2-[7-chloranyl-1-(4-isoindol-2-yl-2-methoxy-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: methyl 2-[7-chloro-1-(4-isoindol-2-yl-2-methoxy-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[7-chloro-1-[[4-(2-isoindolyl)-2-methoxyphenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-chloro-1-(4-isoindol-2-yl-2-methoxybenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[7-chloro-1-(4-isoindol-2-yl-2-methoxy-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester Formula: C29H27ClN2O4 MolecularWeight: 502.98868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C=C3C=CC=CC3=C2)C(=O)N4CCCC(C5=C4C=CC(=C5)Cl)CC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)N2C=C3C=CC=CC3=C2)C(=O)N4CCCC(C5=C4C=CC(=C5)Cl)CC(=O)OC

InChI

InChI=1S/C29H27ClN2O4/c1-35-27-16-23(31-17-20-6-3-4-7-21(20)18-31)10-11-24(27)29(34)32-13-5-8-19(14-28(33)36-2)25-15-22(30)9-12-26(25)32/h3-4,6-7,9-12,15-19H,5,8,13-14H2,1-2H3