N-[1-(5-carbamimidoyl-2-phenylmethoxy-phenyl)-2-phenyl-ethyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide dihydrochloride

Systemtic Name: N-[1-(5-carbamimidoyl-2-phenylmethoxy-phenyl)-2-phenyl-ethyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide dihydrochloride Openeye Name: N-[1-(2-benzyloxy-5-carbamimidoyl-phenyl)-2-phenyl-ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide dihydrochloride CAS Name: N-[1-(5-carbamimidoyl-2-phenylmethoxyphenyl)-2-phenylethyl]-3-methyl-4-[oxo(1-pyrrolidinyl)methyl]benzamide dihydrochloride IUPAC Name: N-[1-(5-carbamimidoyl-2-phenylmethoxyphenyl)-2-phenylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide dihydrochloride Traditional Name: N-[1-(5-amidino-2-benzoxy-phenyl)-2-phenyl-ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide dihydrochloride Formula: C35H38Cl2N4O3 MolecularWeight: 633.60722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C3=C(C=CC(=C3)C(=N)N)OCC4=CC=CC=C4)C(=O)N5CCCC5.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C3=C(C=CC(=C3)C(=N)N)OCC4=CC=CC=C4)C(=O)N5CCCC5.Cl.Cl

InChI

InChI=1S/C35H36N4O3.2ClH/c1-24-20-28(14-16-29(24)35(41)39-18-8-9-19-39)34(40)38-31(21-25-10-4-2-5-11-25)30-22-27(33(36)37)15-17-32(30)42-23-26-12-6-3-7-13-26;;/h2-7,10-17,20,22,31H,8-9,18-19,21,23H2,1H3,(H3,36,37)(H,38,40);2*1H