tert-butyl 3-[(3-cyanophenyl)-[1-(phenylmethyl)piperidin-4-yl]amino]benzoate

Systemtic Name: tert-butyl 3-[(3-cyanophenyl)-[1-(phenylmethyl)piperidin-4-yl]amino]benzoate Openeye Name: tert-butyl 3-(N-(1-benzyl-4-piperidyl)-3-cyano-anilino)benzoate CAS Name: 3-(3-cyano-N-[1-(phenylmethyl)-4-piperidinyl]anilino)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)benzoate Traditional Name: 3-(N-(1-benzyl-4-piperidyl)-3-cyano-anilino)benzoic acid tert-butyl ester Formula: C30H33N3O2 MolecularWeight: 467.60192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC=C1)N(C2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)N(C2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C30H33N3O2/c1-30(2,3)35-29(34)25-12-8-14-28(20-25)33(27-13-7-11-24(19-27)21-31)26-15-17-32(18-16-26)22-23-9-5-4-6-10-23/h4-14,19-20,26H,15-18,22H2,1-3H3