[5-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-2-oxidanyl-phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [5-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-2-oxidanyl-phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[2-hydroxy-5-[(4-hydroxy-3-methoxy-phenyl)methylamino]phenyl]methanone CAS Name: [2-hydroxy-5-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[2-hydroxy-5-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]methanone Traditional Name: (4-benzylpiperidino)-[2-hydroxy-5-(vanillylamino)phenyl]methanone Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)O)C(=O)N3CCC(CC3)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)O)C(=O)N3CCC(CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C27H30N2O4/c1-33-26-16-21(7-9-25(26)31)18-28-22-8-10-24(30)23(17-22)27(32)29-13-11-20(12-14-29)15-19-5-3-2-4-6-19/h2-10,16-17,20,28,30-31H,11-15,18H2,1H3