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

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

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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)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/c1-5-14-29-18-22(16-20-11-12-21(27(31)32)17-25(20)33-4)23-15-19(10-13-24(23)29)8-6-7-9-26(30)28(2)3/h6,8,10-13,15,17-18H,5,7,9,14,16H2,1-4H3,(H,31,32)/b8-6+