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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)-methyl-carbamoyl]chroman-3-yl]acetic acid CAS Name: 2-[2-[(4-carbamimidoyl-N-methylanilino)-oxomethyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)-methylcarbamoyl]-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[2-[(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)C2C(CC3=CC=CC=C3O2)CC(=O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2C(CC3=CC=CC=C3O2)CC(=O)O

InChI

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