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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1-ethanoylpiperidin-4-yl)methoxymethyl]benzoate Openeye Name: methyl 3-[(1-acetyl-4-piperidyl)methoxymethyl]-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-[(1-acetyl-4-piperidinyl)methoxymethyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(1-acetylpiperidin-4-yl)methoxymethyl]-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-[(1-acetyl-4-piperidyl)methoxymethyl]-5-(3-amidinophenyl)benzoic acid methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-16(28)27-8-6-17(7-9-27)14-31-15-18-10-21(13-22(11-18)24(29)30-2)19-4-3-5-20(12-19)23(25)26/h3-5,10-13,17H,6-9,14-15H2,1-2H3,(H3,25,26)