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

Systemtic Name: 4-[[5-[2-(butylamino)-2-oxidanylidene-ethyl]-1-prop-2-enyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-allyl-5-[2-(butylamino)-2-oxo-ethyl]indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[2-(butylamino)-2-oxoethyl]-1-prop-2-enyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-[2-(butylamino)-2-oxoethyl]-1-prop-2-enylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-allyl-5-[2-(butylamino)-2-keto-ethyl]indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-4-6-11-27-25(29)14-18-7-10-23-22(13-18)21(17-28(23)12-5-2)15-19-8-9-20(26(30)31)16-24(19)32-3/h5,7-10,13,16-17H,2,4,6,11-12,14-15H2,1,3H3,(H,27,29)(H,30,31)