3-[(4-carbamimidoylphenyl)amino]-2-(3,4-dimethylphenyl)-2-methyl-butanedioic acid

Systemtic Name: 3-[(4-carbamimidoylphenyl)amino]-2-(3,4-dimethylphenyl)-2-methyl-butanedioic acid Openeye Name: 3-(4-carbamimidoylanilino)-2-(3,4-dimethylphenyl)-2-methyl-butanedioic acid CAS Name: 3-(4-carbamimidoylanilino)-2-(3,4-dimethylphenyl)-2-methylbutanedioic acid IUPAC Name: 3-(4-carbamimidoylanilino)-2-(3,4-dimethylphenyl)-2-methylbutanedioic acid Traditional Name: 3-(4-amidinoanilino)-2-(3,4-dimethylphenyl)-2-methyl-succinic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)C(=O)O)C

InChI

InChI=1S/C20H23N3O4/c1-11-4-7-14(10-12(11)2)20(3,19(26)27)16(18(24)25)23-15-8-5-13(6-9-15)17(21)22/h4-10,16,23H,1-3H3,(H3,21,22)(H,24,25)(H,26,27)