methyl 4-[[5-[(E)-4-(dimethylamino)-4-oxidanylidene-but-1-enyl]-1-propan-2-yl-indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-[(E)-4-(dimethylamino)-4-oxidanylidene-but-1-enyl]-1-propan-2-yl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-[(E)-4-(dimethylamino)-4-oxo-but-1-enyl]-1-isopropyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[(E)-4-(dimethylamino)-4-oxobut-1-enyl]-1-propan-2-yl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(E)-4-(dimethylamino)-4-oxobut-1-enyl]-1-propan-2-ylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-[(E)-4-(dimethylamino)-4-keto-but-1-enyl]-1-isopropyl-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:

CC(C)N1C=C(C2=C1C=CC(=C2)C=CCC(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CC(C)N1C=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/c1-18(2)29-17-22(15-20-11-12-21(27(31)33-6)16-25(20)32-5)23-14-19(10-13-24(23)29)8-7-9-26(30)28(3)4/h7-8,10-14,16-18H,9,15H2,1-6H3/b8-7+