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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1C=CC(=C2)CC(C)C(=O)NCCC)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCC1=CN(C2=C1C=CC(=C2)CC(C)C(=O)NCCC)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C28H36N2O4/c1-6-8-22-17-30(18-23-11-10-21(28(32)34-5)16-26(23)33-4)25-15-20(9-12-24(22)25)14-19(3)27(31)29-13-7-2/h9-12,15-17,19H,6-8,13-14,18H2,1-5H3,(H,29,31)