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

Systemtic Name: 2-[[5-[2-(butylamino)-2-oxidanylidene-ethyl]-1-prop-2-enyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 2-[[1-allyl-5-[2-(butylamino)-2-oxo-ethyl]indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 2-[[5-[2-(butylamino)-2-oxoethyl]-1-prop-2-enyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 2-[[5-[2-(butylamino)-2-oxoethyl]-1-prop-2-enylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 2-[[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=CC=C3OC)C(=O)O)CC=C

Isomeric SMILES

CCCCNC(=O)CC1=CC2=C(C=C1)N(C=C2CC3=C(C=CC=C3OC)C(=O)O)CC=C

InChI

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