2-[6-[(4-carbamimidoylphenyl)carbonyl-propyl-amino]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbonyl-propyl-amino]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoylbenzoyl)-propyl-amino]chroman-3-yl]acetic acid CAS Name: 2-[6-[[(4-carbamimidoylphenyl)-oxomethyl]-propylamino]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoylbenzoyl)-propylamino]-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[6-[(4-amidinobenzoyl)-propyl-amino]chroman-3-yl]acetic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC2=C(C=C1)OCC(C2)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCN(C1=CC2=C(C=C1)OCC(C2)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25N3O4/c1-2-9-25(22(28)16-5-3-15(4-6-16)21(23)24)18-7-8-19-17(12-18)10-14(13-29-19)11-20(26)27/h3-8,12,14H,2,9-11,13H2,1H3,(H3,23,24)(H,26,27)