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

Systemtic Name: O1-(2-acetamidoethyl) O3-(2-methylpropylcarbamoylamino) 2-(2-hydroxyethyl)-2-[(4-naphthalen-2-ylphenyl)methyl]propanedioate Openeye Name: O1-(2-acetamidoethyl) O3-(isobutylcarbamoylamino) 2-(2-hydroxyethyl)-2-[[4-(2-naphthyl)phenyl]methyl]propanedioate CAS Name: 2-(2-hydroxyethyl)-2-[[4-(2-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-2-ylphenyl)methyl]propanedioate Traditional Name: 2-(2-hydroxyethyl)-2-[4-(2-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=CC3=CC=CC=C3C=C2)C(=O)OCCNC(=O)C

Isomeric SMILES

CC(C)CNC(=O)NOC(=O)C(CCO)(CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2)C(=O)OCCNC(=O)C

InChI

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