2-[[4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[4-(2-hydroxyethoxy)-3-methoxy-phenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[4-(2-hydroxyethoxy)-3-methoxy-benzyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(CC2=CNC3=CC=CC=C32)C(=O)O)OCCO

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(CC2=CNC3=CC=CC=C32)C(=O)O)OCCO

InChI

InChI=1S/C21H24N2O5/c1-27-20-10-14(6-7-19(20)28-9-8-24)12-22-18(21(25)26)11-15-13-23-17-5-3-2-4-16(15)17/h2-7,10,13,18,22-24H,8-9,11-12H2,1H3,(H,25,26)