O1-(phenylmethyl) O5-(propan-2-ylcarbamoylamino) 4-[(4-naphthalen-2-ylphenyl)methyl]-2-oxidanyl-pentanedioate

Systemtic Name: O1-(phenylmethyl) O5-(propan-2-ylcarbamoylamino) 4-[(4-naphthalen-2-ylphenyl)methyl]-2-oxidanyl-pentanedioate Openeye Name: O1-benzyl O5-(isopropylcarbamoylamino) 2-hydroxy-4-[[4-(2-naphthyl)phenyl]methyl]pentanedioate CAS Name: 4-hydroxy-2-[[4-(2-naphthalenyl)phenyl]methyl]pentanedioic acid O1-[[oxo-(propan-2-ylamino)methyl]amino] ester O5-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 5-O-(propan-2-ylcarbamoylamino) 2-hydroxy-4-[(4-naphthalen-2-ylphenyl)methyl]pentanedioate Traditional Name: 2-hydroxy-4-[4-(2-naphthyl)benzyl]glutaric acid O1-benzyl ester O5-(isopropylcarbamoylamino) ester Formula: C33H34N2O6 MolecularWeight: 554.63286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NOC(=O)C(CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2)CC(C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)NC(=O)NOC(=O)C(CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2)CC(C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C33H34N2O6/c1-22(2)34-33(39)35-41-31(37)29(20-30(36)32(38)40-21-24-8-4-3-5-9-24)18-23-12-14-26(15-13-23)28-17-16-25-10-6-7-11-27(25)19-28/h3-17,19,22,29-30,36H,18,20-21H2,1-2H3,(H2,34,35,39)