hexyl 4-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]-3-oxidanylidene-butanoate

Systemtic Name: hexyl 4-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]-3-oxidanylidene-butanoate Openeye Name: hexyl 4-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-3-oxo-butanoate CAS Name: 4-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]-3-oxobutanoic acid hexyl ester IUPAC Name: hexyl 4-(1-benzyl-5-methoxy-2-methylindol-3-yl)-3-oxobutanoate Traditional Name: 4-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-3-keto-butyric acid hexyl ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCOC(=O)CC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)C

InChI

InChI=1S/C27H33NO4/c1-4-5-6-10-15-32-27(30)17-22(29)16-24-20(2)28(19-21-11-8-7-9-12-21)26-14-13-23(31-3)18-25(24)26/h7-9,11-14,18H,4-6,10,15-17,19H2,1-3H3