methyl 3-(3-carbamimidoylphenyl)-5-[(1-propan-2-ylpiperidin-4-yl)methoxymethyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1-propan-2-ylpiperidin-4-yl)methoxymethyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1-isopropyl-4-piperidyl)methoxymethyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[(1-propan-2-yl-4-piperidinyl)methoxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1-propan-2-ylpiperidin-4-yl)methoxymethyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(1-isopropyl-4-piperidyl)methoxymethyl]benzoic acid methyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CC(C)N1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C25H33N3O3/c1-17(2)28-9-7-18(8-10-28)15-31-16-19-11-22(14-23(12-19)25(29)30-3)20-5-4-6-21(13-20)24(26)27/h4-6,11-14,17-18H,7-10,15-16H2,1-3H3,(H3,26,27)