2-[6-[[4-(N'-propylcarbamimidoyl)phenyl]carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoic acid

Systemtic Name: 2-[6-[[4-(N'-propylcarbamimidoyl)phenyl]carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoic acid Openeye Name: 2-[6-[[4-(N'-propylcarbamimidoyl)benzoyl]amino]chroman-2-yl]acetic acid CAS Name: 2-[6-[[[4-[amino(propylimino)methyl]phenyl]-oxomethyl]amino]-3,4-dihydro-2H-1-benzopyran-2-yl]acetic acid IUPAC Name: 2-[6-[[4-(N'-propylcarbamimidoyl)benzoyl]amino]-3,4-dihydro-2H-chromen-2-yl]acetic acid Traditional Name: 2-[6-[[4-(N'-propylamidino)benzoyl]amino]chroman-2-yl]acetic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(CC3)CC(=O)O)N

Isomeric SMILES

CCCN=C(C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(CC3)CC(=O)O)N

InChI

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