2-[(4-cyanophenyl)amino]-2-(ethoxymethyl)-3-[(3-ethoxyphenyl)carbamoyl]-3-methyl-butanedioic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(ethoxymethyl)-3-[(3-ethoxyphenyl)carbamoyl]-3-methyl-butanedioic acid Openeye Name: 2-(4-cyanoanilino)-2-(ethoxymethyl)-3-[(3-ethoxyphenyl)carbamoyl]-3-methyl-butanedioic acid CAS Name: 2-(4-cyanoanilino)-3-[(3-ethoxyanilino)-oxomethyl]-2-(ethoxymethyl)-3-methylbutanedioic acid IUPAC Name: 2-(4-cyanoanilino)-2-(ethoxymethyl)-3-[(3-ethoxyphenyl)carbamoyl]-3-methylbutanedioic acid Traditional Name: 2-(4-cyanoanilino)-2-(ethoxymethyl)-3-methyl-3-(m-phenetylcarbamoyl)succinic acid Formula: C24H27N3O7 MolecularWeight: 469.48708

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(C(=O)O)(C(C)(C(=O)NC1=CC(=CC=C1)OCC)C(=O)O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOCC(C(=O)O)(C(C)(C(=O)NC1=CC(=CC=C1)OCC)C(=O)O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C24H27N3O7/c1-4-33-15-24(22(31)32,27-17-11-9-16(14-25)10-12-17)23(3,21(29)30)20(28)26-18-7-6-8-19(13-18)34-5-2/h6-13,27H,4-5,15H2,1-3H3,(H,26,28)(H,29,30)(H,31,32)