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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CC1C(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

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