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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)-ethyl-carbamoyl]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)-ethyl-carbamoyl]chroman-3-yl]acetic acid CAS Name: 2-[2-[(4-carbamimidoyl-N-ethylanilino)-oxomethyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)-ethylcarbamoyl]-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[2-[(4-amidinophenyl)-ethyl-carbamoyl]chroman-3-yl]acetic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-2-24(16-9-7-13(8-10-16)20(22)23)21(27)19-15(12-18(25)26)11-14-5-3-4-6-17(14)28-19/h3-10,15,19H,2,11-12H2,1H3,(H3,22,23)(H,25,26)