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

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-2-methyl-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-2-methyl-chroman-3-yl]acetic acid CAS Name: 2-[6-[(4-carbamimidoylanilino)-oxomethyl]-2-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-2-methyl-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]-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)C(=O)NC3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CC1C(CC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

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