O1-ethyl O3-(2-hydroxyethyl) 2-[(2-methylpropylcarbamoylamino)-(4-phenylphenyl)methyl]propanedioate

Systemtic Name: O1-ethyl O3-(2-hydroxyethyl) 2-[(2-methylpropylcarbamoylamino)-(4-phenylphenyl)methyl]propanedioate Openeye Name: O1-ethyl O3-(2-hydroxyethyl) 2-[(isobutylcarbamoylamino)-(4-phenylphenyl)methyl]propanedioate CAS Name: 2-[[[(2-methylpropylamino)-oxomethyl]amino]-(4-phenylphenyl)methyl]propanedioic acid O1-ethyl ester O3-(2-hydroxyethyl) ester IUPAC Name: 1-O-ethyl 3-O-(2-hydroxyethyl) 2-[(2-methylpropylcarbamoylamino)-(4-phenylphenyl)methyl]propanedioate Traditional Name: 2-[(isobutylcarbamoylamino)-(4-phenylphenyl)methyl]malonic acid O1-ethyl ester O3-(2-hydroxyethyl) ester Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)NCC(C)C)C(=O)OCCO

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)NCC(C)C)C(=O)OCCO

InChI

InChI=1S/C25H32N2O6/c1-4-32-23(29)21(24(30)33-15-14-28)22(27-25(31)26-16-17(2)3)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,17,21-22,28H,4,14-16H2,1-3H3,(H2,26,27,31)