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

Systemtic Name: 2-[6-[butyl-(4-carbamimidoylphenyl)carbonyl-amino]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[6-[butyl-(4-carbamimidoylbenzoyl)amino]chroman-3-yl]acetic acid CAS Name: 2-[6-[butyl-[(4-carbamimidoylphenyl)-oxomethyl]amino]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[6-[butyl-(4-carbamimidoylbenzoyl)amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[6-[(4-amidinobenzoyl)-butyl-amino]chroman-3-yl]acetic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-2-3-10-26(23(29)17-6-4-16(5-7-17)22(24)25)19-8-9-20-18(13-19)11-15(14-30-20)12-21(27)28/h4-9,13,15H,2-3,10-12,14H2,1H3,(H3,24,25)(H,27,28)