ethyl 2-[6-[(4-carbamimidoyl-2-fluoranyl-phenyl)carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoate hydrochloride

Systemtic Name: ethyl 2-[6-[(4-carbamimidoyl-2-fluoranyl-phenyl)carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoate hydrochloride Openeye Name: ethyl 2-[6-[(4-carbamimidoyl-2-fluoro-benzoyl)amino]chroman-2-yl]acetate hydrochloride CAS Name: 2-[6-[[(4-carbamimidoyl-2-fluorophenyl)-oxomethyl]amino]-3,4-dihydro-2H-1-benzopyran-2-yl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[6-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-3,4-dihydro-2H-chromen-2-yl]acetate hydrochloride Traditional Name: 2-[6-[(4-amidino-2-fluoro-benzoyl)amino]chroman-2-yl]acetic acid ethyl ester hydrochloride Formula: C21H23ClFN3O4 MolecularWeight: 435.876423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O4.ClH/c1-2-28-19(26)11-15-6-3-12-9-14(5-8-18(12)29-15)25-21(27)16-7-4-13(20(23)24)10-17(16)22;/h4-5,7-10,15H,2-3,6,11H2,1H3,(H3,23,24)(H,25,27);1H