methyl 2-[6-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoate hydrochloride

Systemtic Name: methyl 2-[6-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoate hydrochloride Openeye Name: methyl 2-[6-[(4-carbamimidoylbenzoyl)amino]chroman-2-yl]acetate hydrochloride CAS Name: 2-[6-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3,4-dihydro-2H-1-benzopyran-2-yl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[6-[(4-carbamimidoylbenzoyl)amino]-3,4-dihydro-2H-chromen-2-yl]acetate hydrochloride Traditional Name: 2-[6-[(4-amidinobenzoyl)amino]chroman-2-yl]acetic acid methyl ester hydrochloride Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CC1CCC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H21N3O4.ClH/c1-26-18(24)11-16-8-6-14-10-15(7-9-17(14)27-16)23-20(25)13-4-2-12(3-5-13)19(21)22;/h2-5,7,9-10,16H,6,8,11H2,1H3,(H3,21,22)(H,23,25);1H