2-[3-(4-carbamimidoylphenyl)propanoylamino]-2-(4-methylphenoxy)ethanoic acid

Systemtic Name: 2-[3-(4-carbamimidoylphenyl)propanoylamino]-2-(4-methylphenoxy)ethanoic acid Openeye Name: 2-[3-(4-carbamimidoylphenyl)propanoylamino]-2-(4-methylphenoxy)acetic acid CAS Name: 2-[[3-(4-carbamimidoylphenyl)-1-oxopropyl]amino]-2-(4-methylphenoxy)acetic acid IUPAC Name: 2-[3-(4-carbamimidoylphenyl)propanoylamino]-2-(4-methylphenoxy)acetic acid Traditional Name: 2-[3-(4-amidinophenyl)propanoylamino]-2-(4-methylphenoxy)acetic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C(=O)O)NC(=O)CCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)OC(C(=O)O)NC(=O)CCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H21N3O4/c1-12-2-9-15(10-3-12)26-18(19(24)25)22-16(23)11-6-13-4-7-14(8-5-13)17(20)21/h2-5,7-10,18H,6,11H2,1H3,(H3,20,21)(H,22,23)(H,24,25)