2-piperidin-4-yloxyethanoyl 2-[[4-(aminomethyl)phenyl]carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: 2-piperidin-4-yloxyethanoyl 2-[[4-(aminomethyl)phenyl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: [2-(4-piperidyloxy)acetyl] 2-[[4-(aminomethyl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: 2-[[[4-(aminomethyl)phenyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid [1-oxo-2-(4-piperidinyloxy)ethyl] ester IUPAC Name: (2-piperidin-4-yloxyacetyl) 2-[[4-(aminomethyl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: 2-[[4-(aminomethyl)benzoyl]amino]-3-(4-methoxyphenyl)propionic acid [2-(4-piperidyloxy)acetyl] ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC(=O)COC2CCNCC2)NC(=O)C3=CC=C(C=C3)CN

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)OC(=O)COC2CCNCC2)NC(=O)C3=CC=C(C=C3)CN

InChI

InChI=1S/C25H31N3O6/c1-32-20-8-4-17(5-9-20)14-22(28-24(30)19-6-2-18(15-26)3-7-19)25(31)34-23(29)16-33-21-10-12-27-13-11-21/h2-9,21-22,27H,10-16,26H2,1H3,(H,28,30)