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

Systemtic Name: 5-(dimethylamino)-3-methoxy-4-[(E)-5-oxidanylidenepent-1-enyl]-2-[(1-propylindol-3-yl)methyl]benzoic acid Openeye Name: 5-(dimethylamino)-3-methoxy-4-[(E)-5-oxopent-1-enyl]-2-[(1-propylindol-3-yl)methyl]benzoic acid CAS Name: 5-(dimethylamino)-3-methoxy-4-[(E)-5-oxopent-1-enyl]-2-[(1-propyl-3-indolyl)methyl]benzoic acid IUPAC Name: 5-(dimethylamino)-3-methoxy-4-[(E)-5-oxopent-1-enyl]-2-[(1-propylindol-3-yl)methyl]benzoic acid Traditional Name: 5-(dimethylamino)-4-[(E)-5-ketopent-1-enyl]-3-methoxy-2-[(1-propylindol-3-yl)methyl]benzoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/c1-5-14-29-18-19(20-11-8-9-13-24(20)29)16-22-23(27(31)32)17-25(28(2)3)21(26(22)33-4)12-7-6-10-15-30/h7-9,11-13,15,17-18H,5-6,10,14,16H2,1-4H3,(H,31,32)/b12-7+