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

Systemtic Name: 3-[3-azanyl-5-(1-methylindol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid Openeye Name: 3-[3-amino-5-(1-methylindol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid CAS Name: 3-[3-amino-5-(1-methyl-5-indolyl)-4-(1-phenylethoxy)phenyl]propanoic acid IUPAC Name: 3-[3-amino-5-(1-methylindol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid Traditional Name: 3-[3-amino-5-(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=C2C3=CC4=C(C=C3)N(C=C4)C)CCC(=O)O)N

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2C3=CC4=C(C=C3)N(C=C4)C)CCC(=O)O)N

InChI

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