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

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)-methyl-carbamoyl]chroman-3-yl]acetic acid CAS Name: 2-[6-[(4-carbamimidoyl-N-methylanilino)-oxomethyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)-methylcarbamoyl]-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[6-[(4-amidinophenyl)-methyl-carbamoyl]chroman-3-yl]acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2=CC3=C(C=C2)OCC(C3)CC(=O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2=CC3=C(C=C2)OCC(C3)CC(=O)O

InChI

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