methyl 2-[2-[(1-carbamimidoyl-4-phenyl-cyclohexa-2,5-dien-1-yl)amino]-2-oxidanylidene-ethoxy]ethanoate hydrochloride

Systemtic Name: methyl 2-[2-[(1-carbamimidoyl-4-phenyl-cyclohexa-2,5-dien-1-yl)amino]-2-oxidanylidene-ethoxy]ethanoate hydrochloride Openeye Name: methyl 2-[2-[(1-carbamimidoyl-4-phenyl-cyclohexa-2,5-dien-1-yl)amino]-2-oxo-ethoxy]acetate hydrochloride CAS Name: 2-[2-[(1-carbamimidoyl-4-phenyl-1-cyclohexa-2,5-dienyl)amino]-2-oxoethoxy]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[2-[(1-carbamimidoyl-4-phenylcyclohexa-2,5-dien-1-yl)amino]-2-oxoethoxy]acetate hydrochloride Traditional Name: 2-[2-[(1-amidino-4-phenyl-cyclohexa-2,5-dien-1-yl)amino]-2-keto-ethoxy]acetic acid methyl ester hydrochloride Formula: C18H22ClN3O4 MolecularWeight: 379.83798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COCC(=O)NC1(C=CC(C=C1)C2=CC=CC=C2)C(=N)N.Cl

Isomeric SMILES

COC(=O)COCC(=O)NC1(C=CC(C=C1)C2=CC=CC=C2)C(=N)N.Cl

InChI

InChI=1S/C18H21N3O4.ClH/c1-24-16(23)12-25-11-15(22)21-18(17(19)20)9-7-14(8-10-18)13-5-3-2-4-6-13;/h2-10,14H,11-12H2,1H3,(H3,19,20)(H,21,22);1H