4-[[3,6-bis[(E)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[3,6-bis[(E)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[3,6-bis[(E)-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[3,6-bis[(E)-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3,6-bis[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[3,6-bis[(E)-3-keto-3-pyrrolidino-prop-1-enyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=C(C3=C2C=C(C=C3)C=CC(=O)N4CCCC4)C=CC(=O)N5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=C(C3=C2C=C(C=C3)/C=C/C(=O)N4CCCC4)/C=C/C(=O)N5CCCC5

InChI

InChI=1S/C31H33N3O5/c1-39-28-19-23(31(37)38)8-9-25(28)21-34-20-24(10-13-30(36)33-16-4-5-17-33)26-11-6-22(18-27(26)34)7-12-29(35)32-14-2-3-15-32/h6-13,18-20H,2-5,14-17,21H2,1H3,(H,37,38)/b12-7+,13-10+