2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(5-methoxy-1-indolyl)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-phenyl-propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2)CCC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2)CCC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-27-17-7-8-19-16(14-17)9-11-23(19)12-10-20(24)22-18(21(25)26)13-15-5-3-2-4-6-15/h2-9,11,14,18H,10,12-13H2,1H3,(H,22,24)(H,25,26)