3-[3-[6-(2-azanylethanoylamino)naphthalen-2-yl]-4-cyclopentyl-2-methoxy-phenyl]propanoic acid

Systemtic Name: 3-[3-[6-(2-azanylethanoylamino)naphthalen-2-yl]-4-cyclopentyl-2-methoxy-phenyl]propanoic acid Openeye Name: 3-[3-[6-[(2-aminoacetyl)amino]-2-naphthyl]-4-cyclopentyl-2-methoxy-phenyl]propanoic acid CAS Name: 3-[3-[6-[(2-amino-1-oxoethyl)amino]-2-naphthalenyl]-4-cyclopentyl-2-methoxyphenyl]propanoic acid IUPAC Name: 3-[3-[6-[(2-aminoacetyl)amino]naphthalen-2-yl]-4-cyclopentyl-2-methoxyphenyl]propanoic acid Traditional Name: 3-[4-cyclopentyl-3-[6-(glycylamino)-2-naphthyl]-2-methoxy-phenyl]propionic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1C2=CC3=C(C=C2)C=C(C=C3)NC(=O)CN)C4CCCC4)CCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1C2=CC3=C(C=C2)C=C(C=C3)NC(=O)CN)C4CCCC4)CCC(=O)O

InChI

InChI=1S/C27H30N2O4/c1-33-27-18(10-13-25(31)32)9-12-23(17-4-2-3-5-17)26(27)21-7-6-20-15-22(29-24(30)16-28)11-8-19(20)14-21/h6-9,11-12,14-15,17H,2-5,10,13,16,28H2,1H3,(H,29,30)(H,31,32)