ethyl 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate dihydrochloride Openeye Name: ethyl 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate dihydrochloride CAS Name: 2-[7-[(4-carbamimidoylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate dihydrochloride Traditional Name: 2-[7-[(4-amidinophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester dihydrochloride Formula: C21H26Cl2N4O3 MolecularWeight: 453.36214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC2=C(C1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

CCOC(=O)CN1CCC2=C(C1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C21H24N4O3.2ClH/c1-2-28-19(26)13-25-10-9-14-3-4-16(11-17(14)12-25)21(27)24-18-7-5-15(6-8-18)20(22)23;;/h3-8,11H,2,9-10,12-13H2,1H3,(H3,22,23)(H,24,27);2*1H