2-[(4-carbamimidoylphenyl)amino]-2-(1-ethoxyethyl)-3-methyl-3-phenoxy-butanedioic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(1-ethoxyethyl)-3-methyl-3-phenoxy-butanedioic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(1-ethoxyethyl)-3-methyl-3-phenoxy-butanedioic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(1-ethoxyethyl)-3-methyl-3-phenoxybutanedioic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(1-ethoxyethyl)-3-methyl-3-phenoxybutanedioic acid Traditional Name: 2-(4-amidinoanilino)-2-(1-ethoxyethyl)-3-methyl-3-phenoxy-succinic acid Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)C(C(=O)O)(C(C)(C(=O)O)OC1=CC=CC=C1)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(C)C(C(=O)O)(C(C)(C(=O)O)OC1=CC=CC=C1)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H27N3O6/c1-4-30-14(2)22(20(28)29,25-16-12-10-15(11-13-16)18(23)24)21(3,19(26)27)31-17-8-6-5-7-9-17/h5-14,25H,4H2,1-3H3,(H3,23,24)(H,26,27)(H,28,29)