methyl 1-[3-azanyl-2-(naphthalen-2-ylmethylamino)propyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-azanyl-2-(naphthalen-2-ylmethylamino)propyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: methyl 1-[3-amino-2-(2-naphthylmethylamino)propyl]-4-benzyl-piperidine-4-carboxylate CAS Name: 1-[3-amino-2-(2-naphthalenylmethylamino)propyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-amino-2-(naphthalen-2-ylmethylamino)propyl]-4-benzylpiperidine-4-carboxylate Traditional Name: 1-[3-amino-2-(2-naphthylmethylamino)propyl]-4-benzyl-isonipecotic acid methyl ester Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CC(CN)NCC2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)CC(CN)NCC2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O2/c1-33-27(32)28(18-22-7-3-2-4-8-22)13-15-31(16-14-28)21-26(19-29)30-20-23-11-12-24-9-5-6-10-25(24)17-23/h2-12,17,26,30H,13-16,18-21,29H2,1H3