2-[6-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoylbenzoyl)-methyl-amino]chroman-3-yl]acetic acid CAS Name: 2-[6-[[(4-carbamimidoylphenyl)-oxomethyl]-methylamino]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoylbenzoyl)-methylamino]-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[6-[(4-amidinobenzoyl)-methyl-amino]chroman-3-yl]acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)OCC(C2)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C1=CC2=C(C=C1)OCC(C2)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

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