2-[6-[(4-carbamimidoyl-2-chloranyl-phenyl)carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-carbamimidoyl-2-chloranyl-phenyl)carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoyl-2-chloro-benzoyl)amino]chroman-2-yl]acetic acid CAS Name: 2-[6-[[(4-carbamimidoyl-2-chlorophenyl)-oxomethyl]amino]-3,4-dihydro-2H-1-benzopyran-2-yl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoyl-2-chlorobenzoyl)amino]-3,4-dihydro-2H-chromen-2-yl]acetic acid Traditional Name: 2-[6-[(4-amidino-2-chloro-benzoyl)amino]chroman-2-yl]acetic acid Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)C(=N)N)Cl)OC1CC(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)C(=N)N)Cl)OC1CC(=O)O

InChI

InChI=1S/C19H18ClN3O4/c20-15-8-11(18(21)22)2-5-14(15)19(26)23-12-3-6-16-10(7-12)1-4-13(27-16)9-17(24)25/h2-3,5-8,13H,1,4,9H2,(H3,21,22)(H,23,26)(H,24,25)