methyl 3-[(4-carbamimidoylphenyl)methylamino]-2-(4-methylphenoxy)-3-oxidanylidene-propanoate hydrochloride

Systemtic Name: methyl 3-[(4-carbamimidoylphenyl)methylamino]-2-(4-methylphenoxy)-3-oxidanylidene-propanoate hydrochloride Openeye Name: methyl 3-[(4-carbamimidoylphenyl)methylamino]-2-(4-methylphenoxy)-3-oxo-propanoate hydrochloride CAS Name: 3-[(4-carbamimidoylphenyl)methylamino]-2-(4-methylphenoxy)-3-oxopropanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(4-carbamimidoylphenyl)methylamino]-2-(4-methylphenoxy)-3-oxopropanoate hydrochloride Traditional Name: 3-[(4-amidinobenzyl)amino]-3-keto-2-(4-methylphenoxy)propionic acid methyl ester hydrochloride Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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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)OC.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4.ClH/c1-12-3-9-15(10-4-12)26-16(19(24)25-2)18(23)22-11-13-5-7-14(8-6-13)17(20)21;/h3-10,16H,11H2,1-2H3,(H3,20,21)(H,22,23);1H