methyl 4-[[5-[(E)-5-(dimethylamino)-5-oxidanylidene-pent-1-enyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-[(E)-5-(dimethylamino)-5-oxidanylidene-pent-1-enyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-[(E)-5-(dimethylamino)-5-oxo-pent-1-enyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[(E)-5-(dimethylamino)-5-oxopent-1-enyl]-1-propyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(E)-5-(dimethylamino)-5-oxopent-1-enyl]-1-propylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-[(E)-5-(dimethylamino)-5-keto-pent-1-enyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)C=CCCC(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)/C=C/CCC(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C28H34N2O4/c1-6-15-30-19-23(17-21-12-13-22(28(32)34-5)18-26(21)33-4)24-16-20(11-14-25(24)30)9-7-8-10-27(31)29(2)3/h7,9,11-14,16,18-19H,6,8,10,15,17H2,1-5H3/b9-7+