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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CCC(C)C1C(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

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