tert-butyl 3-[(2-methoxy-5-prop-2-ynyl-phenyl)methylamino]-2-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(2-methoxy-5-prop-2-ynyl-phenyl)methylamino]-2-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(2-methoxy-5-prop-2-ynyl-phenyl)methylamino]-2-phenyl-piperidine-1-carboxylate CAS Name: 3-[(2-methoxy-5-prop-2-ynylphenyl)methylamino]-2-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-methoxy-5-prop-2-ynylphenyl)methylamino]-2-phenylpiperidine-1-carboxylate Traditional Name: 3-[(2-methoxy-5-propargyl-benzyl)amino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=CC(=C3)CC#C)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1C2=CC=CC=C2)NCC3=C(C=CC(=C3)CC#C)OC

InChI

InChI=1S/C27H34N2O3/c1-6-11-20-15-16-24(31-5)22(18-20)19-28-23-14-10-17-29(26(30)32-27(2,3)4)25(23)21-12-8-7-9-13-21/h1,7-9,12-13,15-16,18,23,25,28H,10-11,14,17,19H2,2-5H3