3-(1-methylindol-3-yl)-2-[[4-(phenoxymethyl)phenyl]methoxycarbonylamino]propanoic acid

Systemtic Name: 3-(1-methylindol-3-yl)-2-[[4-(phenoxymethyl)phenyl]methoxycarbonylamino]propanoic acid Openeye Name: 3-(1-methylindol-3-yl)-2-[[4-(phenoxymethyl)phenyl]methoxycarbonylamino]propanoic acid CAS Name: 3-(1-methyl-3-indolyl)-2-[[oxo-[[4-(phenoxymethyl)phenyl]methoxy]methyl]amino]propanoic acid IUPAC Name: 3-(1-methylindol-3-yl)-2-[[4-(phenoxymethyl)phenyl]methoxycarbonylamino]propanoic acid Traditional Name: 3-(1-methylindol-3-yl)-2-[[4-(phenoxymethyl)benzyl]oxycarbonylamino]propionic acid Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OCC3=CC=C(C=C3)COC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NC(=O)OCC3=CC=C(C=C3)COC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O5/c1-29-16-21(23-9-5-6-10-25(23)29)15-24(26(30)31)28-27(32)34-18-20-13-11-19(12-14-20)17-33-22-7-3-2-4-8-22/h2-14,16,24H,15,17-18H2,1H3,(H,28,32)(H,30,31)