heptyl 4-[1-(4-chlorophenyl)carbonyl-2-methyl-indol-3-yl]-3-oxidanylidene-butanoate

Systemtic Name: heptyl 4-[1-(4-chlorophenyl)carbonyl-2-methyl-indol-3-yl]-3-oxidanylidene-butanoate Openeye Name: heptyl 4-[1-(4-chlorobenzoyl)-2-methyl-indol-3-yl]-3-oxo-butanoate CAS Name: 4-[1-[(4-chlorophenyl)-oxomethyl]-2-methyl-3-indolyl]-3-oxobutanoic acid heptyl ester IUPAC Name: heptyl 4-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]-3-oxobutanoate Traditional Name: 4-[1-(4-chlorobenzoyl)-2-methyl-indol-3-yl]-3-keto-butyric acid heptyl ester Formula: C27H30ClNO4 MolecularWeight: 467.9844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)CC(=O)CC1=C(N(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCCCCOC(=O)CC(=O)CC1=C(N(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C27H30ClNO4/c1-3-4-5-6-9-16-33-26(31)18-22(30)17-24-19(2)29(25-11-8-7-10-23(24)25)27(32)20-12-14-21(28)15-13-20/h7-8,10-15H,3-6,9,16-18H2,1-2H3