O1-tert-butyl O5-(2-methylpropylcarbamoylamino) 4-[(4-naphthalen-1-ylphenyl)methyl]-2-oxidanyl-pentanedioate

Systemtic Name: O1-tert-butyl O5-(2-methylpropylcarbamoylamino) 4-[(4-naphthalen-1-ylphenyl)methyl]-2-oxidanyl-pentanedioate Openeye Name: O1-tert-butyl O5-(isobutylcarbamoylamino) 2-hydroxy-4-[[4-(1-naphthyl)phenyl]methyl]pentanedioate CAS Name: 2-hydroxy-4-[[4-(1-naphthalenyl)phenyl]methyl]pentanedioic acid O1-tert-butyl ester O5-[[(2-methylpropylamino)-oxomethyl]amino] ester IUPAC Name: 1-O-tert-butyl 5-O-(2-methylpropylcarbamoylamino) 2-hydroxy-4-[(4-naphthalen-1-ylphenyl)methyl]pentanedioate Traditional Name: 2-hydroxy-4-[4-(1-naphthyl)benzyl]glutaric acid O1-tert-butyl ester O5-(isobutylcarbamoylamino) ester Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O6/c1-20(2)19-32-30(37)33-39-28(35)24(18-27(34)29(36)38-31(3,4)5)17-21-13-15-23(16-14-21)26-12-8-10-22-9-6-7-11-25(22)26/h6-16,20,24,27,34H,17-19H2,1-5H3,(H2,32,33,37)