2-[[(Z)-2-methyl-3-[1-(phenylmethyl)indol-5-yl]prop-2-enoyl]amino]-2-phenoxy-butanoic acid

Systemtic Name: 2-[[(Z)-2-methyl-3-[1-(phenylmethyl)indol-5-yl]prop-2-enoyl]amino]-2-phenoxy-butanoic acid Openeye Name: 2-[[(Z)-3-(1-benzylindol-5-yl)-2-methyl-prop-2-enoyl]amino]-2-phenoxy-butanoic acid CAS Name: 2-[[(Z)-2-methyl-1-oxo-3-[1-(phenylmethyl)-5-indolyl]prop-2-enyl]amino]-2-phenoxybutanoic acid IUPAC Name: 2-[[(Z)-3-(1-benzylindol-5-yl)-2-methylprop-2-enoyl]amino]-2-phenoxybutanoic acid Traditional Name: 2-[[(Z)-3-(1-benzylindol-5-yl)-2-methyl-acryloyl]amino]-2-phenoxy-butyric acid Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)(NC(=O)C(=CC1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3)C)OC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)O)(NC(=O)/C(=C\C1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3)/C)OC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O4/c1-3-29(28(33)34,35-25-12-8-5-9-13-25)30-27(32)21(2)18-23-14-15-26-24(19-23)16-17-31(26)20-22-10-6-4-7-11-22/h4-19H,3,20H2,1-2H3,(H,30,32)(H,33,34)/b21-18-