O1-(methylcarbamoylamino) O5-(phenylmethyl) 2-[(4-naphthalen-1-ylphenyl)methyl]-4-oxidanyl-pentanedioate

Systemtic Name: O1-(methylcarbamoylamino) O5-(phenylmethyl) 2-[(4-naphthalen-1-ylphenyl)methyl]-4-oxidanyl-pentanedioate Openeye Name: O1-benzyl O5-(methylcarbamoylamino) 2-hydroxy-4-[[4-(1-naphthyl)phenyl]methyl]pentanedioate CAS Name: 4-hydroxy-2-[[4-(1-naphthalenyl)phenyl]methyl]pentanedioic acid O1-(methylcarbamoylamino) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-(methylcarbamoylamino) 4-hydroxy-2-[(4-naphthalen-1-ylphenyl)methyl]pentanedioate Traditional Name: 2-hydroxy-4-[4-(1-naphthyl)benzyl]glutaric acid O1-benzyl ester O5-(methylcarbamoylamino) ester Formula: C31H30N2O6 MolecularWeight: 526.5797

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NOC(=O)C(CC1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)CC(C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CNC(=O)NOC(=O)C(CC1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)CC(C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C31H30N2O6/c1-32-31(37)33-39-29(35)25(19-28(34)30(36)38-20-22-8-3-2-4-9-22)18-21-14-16-24(17-15-21)27-13-7-11-23-10-5-6-12-26(23)27/h2-17,25,28,34H,18-20H2,1H3,(H2,32,33,37)