2-azanyl-2-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]-3-oxidanylidene-octanoic acid

Systemtic Name: 2-azanyl-2-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]-3-oxidanylidene-octanoic acid Openeye Name: 2-amino-4-(3-benzyl-5-methyl-2-oxo-1-pyridyl)-2-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-oxo-octanoic acid CAS Name: 2-amino-2-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-3-oxooctanoic acid IUPAC Name: 2-amino-4-(3-benzyl-5-methyl-2-oxopyridin-1-yl)-2-[(3-ethoxy-4-methoxyphenyl)methyl]-3-oxooctanoic acid Traditional Name: 2-amino-4-(3-benzyl-2-keto-5-methyl-1-pyridyl)-2-(3-ethoxy-4-methoxy-benzyl)-3-keto-caprylic acid Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(CC1=CC(=C(C=C1)OC)OCC)(C(=O)O)N)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCC(C(=O)C(CC1=CC(=C(C=C1)OC)OCC)(C(=O)O)N)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C31H38N2O6/c1-5-7-13-25(33-20-21(3)16-24(29(33)35)17-22-11-9-8-10-12-22)28(34)31(32,30(36)37)19-23-14-15-26(38-4)27(18-23)39-6-2/h8-12,14-16,18,20,25H,5-7,13,17,19,32H2,1-4H3,(H,36,37)