4-(dimethylamino)-3-methoxy-5-[(E)-4-oxidanylidenebut-1-enyl]-2-[(1-propylindol-3-yl)methyl]benzoic acid

Systemtic Name: 4-(dimethylamino)-3-methoxy-5-[(E)-4-oxidanylidenebut-1-enyl]-2-[(1-propylindol-3-yl)methyl]benzoic acid Openeye Name: 4-(dimethylamino)-3-methoxy-5-[(E)-4-oxobut-1-enyl]-2-[(1-propylindol-3-yl)methyl]benzoic acid CAS Name: 4-(dimethylamino)-3-methoxy-5-[(E)-4-oxobut-1-enyl]-2-[(1-propyl-3-indolyl)methyl]benzoic acid IUPAC Name: 4-(dimethylamino)-3-methoxy-5-[(E)-4-oxobut-1-enyl]-2-[(1-propylindol-3-yl)methyl]benzoic acid Traditional Name: 4-(dimethylamino)-5-[(E)-4-ketobut-1-enyl]-3-methoxy-2-[(1-propylindol-3-yl)methyl]benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)CC3=C(C(=C(C=C3C(=O)O)C=CCC=O)N(C)C)OC

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)CC3=C(C(=C(C=C3C(=O)O)/C=C/CC=O)N(C)C)OC

InChI

InChI=1S/C26H30N2O4/c1-5-13-28-17-19(20-11-6-7-12-23(20)28)16-21-22(26(30)31)15-18(10-8-9-14-29)24(27(2)3)25(21)32-4/h6-8,10-12,14-15,17H,5,9,13,16H2,1-4H3,(H,30,31)/b10-8+