methyl 3-(3-carbamimidoylphenyl)-5-[(1-propanimidoylpiperidin-4-yl)oxymethyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1-propanimidoylpiperidin-4-yl)oxymethyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1-propanimidoyl-4-piperidyl)oxymethyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[1-(1-iminopropyl)-4-piperidinyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[(1-propanimidoylpiperidin-4-yl)oxymethyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(1-propanimidoyl-4-piperidyl)oxymethyl]benzoic acid methyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=N)N1CCC(CC1)OCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CCC(=N)N1CCC(CC1)OCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C24H30N4O3/c1-3-22(25)28-9-7-21(8-10-28)31-15-16-11-19(14-20(12-16)24(29)30-2)17-5-4-6-18(13-17)23(26)27/h4-6,11-14,21,25H,3,7-10,15H2,1-2H3,(H3,26,27)