3-methoxy-4-[[5-[(Z)-2-methyl-3-oxidanylidene-3-(propylamino)prop-1-enyl]-1-prop-2-enyl-indol-3-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[5-[(Z)-2-methyl-3-oxidanylidene-3-(propylamino)prop-1-enyl]-1-prop-2-enyl-indol-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-allyl-5-[(Z)-2-methyl-3-oxo-3-(propylamino)prop-1-enyl]indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[5-[(Z)-2-methyl-3-oxo-3-(propylamino)prop-1-enyl]-1-prop-2-enyl-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[5-[(Z)-2-methyl-3-oxo-3-(propylamino)prop-1-enyl]-1-prop-2-enylindol-3-yl]methyl]benzoic acid Traditional Name: 4-[[1-allyl-5-[(Z)-3-keto-2-methyl-3-(propylamino)prop-1-enyl]indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=CC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CC=C)C

Isomeric SMILES

CCCNC(=O)/C(=C\C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CC=C)/C

InChI

InChI=1S/C27H30N2O4/c1-5-11-28-26(30)18(3)13-19-7-10-24-23(14-19)22(17-29(24)12-6-2)15-20-8-9-21(27(31)32)16-25(20)33-4/h6-10,13-14,16-17H,2,5,11-12,15H2,1,3-4H3,(H,28,30)(H,31,32)/b18-13-