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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-2-3-10-26(19-7-4-16(5-8-19)22(24)25)23(29)17-6-9-20-18(13-17)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)