3-azanyl-2-[3-(1-methylindol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid

Systemtic Name: 3-azanyl-2-[3-(1-methylindol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid Openeye Name: 3-amino-2-[3-(1-methylindol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid CAS Name: 3-amino-2-[3-(1-methyl-5-indolyl)-4-(1-phenylethoxy)phenyl]propanoic acid IUPAC Name: 3-amino-2-[3-(1-methylindol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid Traditional Name: 3-amino-2-[3-(1-methylindol-5-yl)-4-(1-phenylethoxy)phenyl]propionic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2)C(CN)C(=O)O)C3=CC4=C(C=C3)N(C=C4)C

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2)C(CN)C(=O)O)C3=CC4=C(C=C3)N(C=C4)C

InChI

InChI=1S/C26H26N2O3/c1-17(18-6-4-3-5-7-18)31-25-11-9-20(23(16-27)26(29)30)15-22(25)19-8-10-24-21(14-19)12-13-28(24)2/h3-15,17,23H,16,27H2,1-2H3,(H,29,30)