methyl 3-(3-carbamimidoylphenyl)-5-[(1-methylpiperidin-4-yl)methoxymethyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1-methylpiperidin-4-yl)methoxymethyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1-methyl-4-piperidyl)methoxymethyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[(1-methyl-4-piperidinyl)methoxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1-methylpiperidin-4-yl)methoxymethyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(1-methyl-4-piperidyl)methoxymethyl]benzoic acid methyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CN1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C23H29N3O3/c1-26-8-6-16(7-9-26)14-29-15-17-10-20(13-21(11-17)23(27)28-2)18-4-3-5-19(12-18)22(24)25/h3-5,10-13,16H,6-9,14-15H2,1-2H3,(H3,24,25)