3-[(4-carbamimidoylphenyl)methylamino]-2-(4-methylphenoxy)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(4-carbamimidoylphenyl)methylamino]-2-(4-methylphenoxy)-3-oxidanylidene-propanoic acid Openeye Name: 3-[(4-carbamimidoylphenyl)methylamino]-2-(4-methylphenoxy)-3-oxo-propanoic acid CAS Name: 3-[(4-carbamimidoylphenyl)methylamino]-2-(4-methylphenoxy)-3-oxopropanoic acid IUPAC Name: 3-[(4-carbamimidoylphenyl)methylamino]-2-(4-methylphenoxy)-3-oxopropanoic acid Traditional Name: 3-[(4-amidinobenzyl)amino]-3-keto-2-(4-methylphenoxy)propionic acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC(C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C18H19N3O4/c1-11-2-8-14(9-3-11)25-15(18(23)24)17(22)21-10-12-4-6-13(7-5-12)16(19)20/h2-9,15H,10H2,1H3,(H3,19,20)(H,21,22)(H,23,24)