methyl 2-(1H-indol-3-yl)-3-methoxy-6-methyl-5-[4-oxidanylidene-4-(propylamino)butyl]-4-propyl-benzoate

Systemtic Name: methyl 2-(1H-indol-3-yl)-3-methoxy-6-methyl-5-[4-oxidanylidene-4-(propylamino)butyl]-4-propyl-benzoate Openeye Name: methyl 2-(1H-indol-3-yl)-3-methoxy-6-methyl-5-[4-oxo-4-(propylamino)butyl]-4-propyl-benzoate CAS Name: 2-(1H-indol-3-yl)-3-methoxy-6-methyl-5-[4-oxo-4-(propylamino)butyl]-4-propylbenzoic acid methyl ester IUPAC Name: methyl 2-(1H-indol-3-yl)-3-methoxy-6-methyl-5-[4-oxo-4-(propylamino)butyl]-4-propylbenzoate Traditional Name: 2-(1H-indol-3-yl)-5-[4-keto-4-(propylamino)butyl]-3-methoxy-6-methyl-4-propyl-benzoic acid methyl ester Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1CCCC(=O)NCCC)C)C(=O)OC)C2=CNC3=CC=CC=C32)OC

Isomeric SMILES

CCCC1=C(C(=C(C(=C1CCCC(=O)NCCC)C)C(=O)OC)C2=CNC3=CC=CC=C32)OC

InChI

InChI=1S/C28H36N2O4/c1-6-11-21-19(13-10-15-24(31)29-16-7-2)18(3)25(28(32)34-5)26(27(21)33-4)22-17-30-23-14-9-8-12-20(22)23/h8-9,12,14,17,30H,6-7,10-11,13,15-16H2,1-5H3,(H,29,31)