methyl 4-[5-(dimethylamino)-5-oxidanylidene-1-(1-propylindol-3-yl)pentyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[5-(dimethylamino)-5-oxidanylidene-1-(1-propylindol-3-yl)pentyl]-3-methoxy-benzoate Openeye Name: methyl 4-[5-(dimethylamino)-5-oxo-1-(1-propylindol-3-yl)pentyl]-3-methoxy-benzoate CAS Name: 4-[5-(dimethylamino)-5-oxo-1-(1-propyl-3-indolyl)pentyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[5-(dimethylamino)-5-oxo-1-(1-propylindol-3-yl)pentyl]-3-methoxybenzoate Traditional Name: 4-[5-(dimethylamino)-5-keto-1-(1-propylindol-3-yl)pentyl]-3-methoxy-benzoic acid methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)C(CCCC(=O)N(C)C)C3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)C(CCCC(=O)N(C)C)C3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C27H34N2O4/c1-6-16-29-18-23(21-10-7-8-12-24(21)29)20(11-9-13-26(30)28(2)3)22-15-14-19(27(31)33-5)17-25(22)32-4/h7-8,10,12,14-15,17-18,20H,6,9,11,13,16H2,1-5H3