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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)C=C(C=C4)NC(=O)CN

Isomeric SMILES

C1CCC(C1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)C=C(C=C4)NC(=O)CN

InChI

InChI=1S/C27H30N2O4/c28-16-26(30)29-23-10-9-20-14-22(8-7-21(20)15-23)24-13-18(6-12-27(31)32)5-11-25(24)33-17-19-3-1-2-4-19/h5,7-11,13-15,19H,1-4,6,12,16-17,28H2,(H,29,30)(H,31,32)