O1-(2-acetamidoethyl) O3-(2-methylpropylcarbamoylamino) 2-(2-hydroxyethyl)-2-[(4-naphthalen-1-ylphenyl)methyl]propanedioate

Systemtic Name: O1-(2-acetamidoethyl) O3-(2-methylpropylcarbamoylamino) 2-(2-hydroxyethyl)-2-[(4-naphthalen-1-ylphenyl)methyl]propanedioate Openeye Name: O1-(2-acetamidoethyl) O3-(isobutylcarbamoylamino) 2-(2-hydroxyethyl)-2-[[4-(1-naphthyl)phenyl]methyl]propanedioate CAS Name: 2-(2-hydroxyethyl)-2-[[4-(1-naphthalenyl)phenyl]methyl]propanedioic acid O1-(2-acetamidoethyl) ester O3-[[(2-methylpropylamino)-oxomethyl]amino] ester IUPAC Name: 1-O-(2-acetamidoethyl) 3-O-(2-methylpropylcarbamoylamino) 2-(2-hydroxyethyl)-2-[(4-naphthalen-1-ylphenyl)methyl]propanedioate Traditional Name: 2-(2-hydroxyethyl)-2-[4-(1-naphthyl)benzyl]malonic acid O1-(2-acetamidoethyl) ester O3-(isobutylcarbamoylamino) ester Formula: C31H37N3O7 MolecularWeight: 563.64138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O7/c1-21(2)20-33-30(39)34-41-29(38)31(15-17-35,28(37)40-18-16-32-22(3)36)19-23-11-13-25(14-12-23)27-10-6-8-24-7-4-5-9-26(24)27/h4-14,21,35H,15-20H2,1-3H3,(H,32,36)(H2,33,34,39)