ethyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(piperidin-4-ylmethoxy)phenyl]propanoate dihydrochloride

Systemtic Name: ethyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(piperidin-4-ylmethoxy)phenyl]propanoate dihydrochloride Openeye Name: ethyl 3-(7-carbamimidoyl-2-naphthyl)-2-[4-(4-piperidylmethoxy)phenyl]propanoate dihydrochloride CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[4-(4-piperidinylmethoxy)phenyl]propanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(piperidin-4-ylmethoxy)phenyl]propanoate dihydrochloride Traditional Name: 3-(7-amidino-2-naphthyl)-2-[4-(4-piperidylmethoxy)phenyl]propionic acid ethyl ester dihydrochloride Formula: C28H35Cl2N3O3 MolecularWeight: 532.5018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OCC4CCNCC4.Cl.Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OCC4CCNCC4.Cl.Cl

InChI

InChI=1S/C28H33N3O3.2ClH/c1-2-33-28(32)26(16-20-3-4-21-5-6-23(27(29)30)17-24(21)15-20)22-7-9-25(10-8-22)34-18-19-11-13-31-14-12-19;;/h3-10,15,17,19,26,31H,2,11-14,16,18H2,1H3,(H3,29,30);2*1H