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

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)-ethyl-carbamoyl]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)-ethyl-carbamoyl]chroman-3-yl]acetic acid CAS Name: 2-[6-[(4-carbamimidoyl-N-ethylanilino)-oxomethyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)-ethylcarbamoyl]-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[6-[(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)C2=CC3=C(C=C2)OCC(C3)CC(=O)O

Isomeric SMILES

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

InChI

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