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

Systemtic Name: methyl 4-[[5-[(E)-4-(dimethylamino)-4-oxidanylidene-but-1-enyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-[(E)-4-(dimethylamino)-4-oxo-but-1-enyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[(E)-4-(dimethylamino)-4-oxobut-1-enyl]-1-propyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(E)-4-(dimethylamino)-4-oxobut-1-enyl]-1-propylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-[(E)-4-(dimethylamino)-4-keto-but-1-enyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/c1-6-14-29-18-22(16-20-11-12-21(27(31)33-5)17-25(20)32-4)23-15-19(10-13-24(23)29)8-7-9-26(30)28(2)3/h7-8,10-13,15,17-18H,6,9,14,16H2,1-5H3/b8-7+