4-[[4-(aminomethyl)phenyl]carbonylamino]-5-(4-methoxyphenyl)-3-oxidanylidene-2-piperidin-4-yloxy-pentanoic acid

Systemtic Name: 4-[[4-(aminomethyl)phenyl]carbonylamino]-5-(4-methoxyphenyl)-3-oxidanylidene-2-piperidin-4-yloxy-pentanoic acid Openeye Name: 4-[[4-(aminomethyl)benzoyl]amino]-5-(4-methoxyphenyl)-3-oxo-2-(4-piperidyloxy)pentanoic acid CAS Name: 4-[[[4-(aminomethyl)phenyl]-oxomethyl]amino]-5-(4-methoxyphenyl)-3-oxo-2-(4-piperidinyloxy)pentanoic acid IUPAC Name: 4-[[4-(aminomethyl)benzoyl]amino]-5-(4-methoxyphenyl)-3-oxo-2-piperidin-4-yloxypentanoic acid Traditional Name: 4-[[4-(aminomethyl)benzoyl]amino]-3-keto-5-(4-methoxyphenyl)-2-(4-piperidyloxy)valeric acid Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)C(C(=O)O)OC2CCNCC2)NC(=O)C3=CC=C(C=C3)CN

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)C(C(=O)O)OC2CCNCC2)NC(=O)C3=CC=C(C=C3)CN

InChI

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