ethyl 2-[6-[[4-(N'-butylcarbamimidoyl)phenyl]carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoate hydrochloride

Systemtic Name: ethyl 2-[6-[[4-(N'-butylcarbamimidoyl)phenyl]carbonylamino]-3,4-dihydro-2H-chromen-2-yl]ethanoate hydrochloride Openeye Name: ethyl 2-[6-[[4-(N'-butylcarbamimidoyl)benzoyl]amino]chroman-2-yl]acetate hydrochloride CAS Name: 2-[6-[[[4-[amino(butylimino)methyl]phenyl]-oxomethyl]amino]-3,4-dihydro-2H-1-benzopyran-2-yl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[6-[[4-(N'-butylcarbamimidoyl)benzoyl]amino]-3,4-dihydro-2H-chromen-2-yl]acetate hydrochloride Traditional Name: 2-[6-[[4-(N'-butylamidino)benzoyl]amino]chroman-2-yl]acetic acid ethyl ester hydrochloride Formula: C25H32ClN3O4 MolecularWeight: 473.99228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(CC3)CC(=O)OCC)N.Cl

Isomeric SMILES

CCCCN=C(C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(CC3)CC(=O)OCC)N.Cl

InChI

InChI=1S/C25H31N3O4.ClH/c1-3-5-14-27-24(26)17-6-8-18(9-7-17)25(30)28-20-11-13-22-19(15-20)10-12-21(32-22)16-23(29)31-4-2;/h6-9,11,13,15,21H,3-5,10,12,14,16H2,1-2H3,(H2,26,27)(H,28,30);1H