(3S)-1-(2-azanyl-3-naphthalen-2-yl-propanoyl)-N-ethyl-3-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-azanyl-3-naphthalen-2-yl-propanoyl)-N-ethyl-3-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[2-amino-3-(2-naphthyl)propanoyl]-3-benzyl-N-ethyl-piperidine-3-carboxamide CAS Name: (3S)-1-[2-amino-3-(2-naphthalenyl)-1-oxopropyl]-N-ethyl-3-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-amino-3-naphthalen-2-ylpropanoyl)-3-benzyl-N-ethylpiperidine-3-carboxamide Traditional Name: (3S)-1-[2-amino-3-(2-naphthyl)propanoyl]-3-benzyl-N-ethyl-nipecotamide Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(CCCN(C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)N)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)[C@@]1(CCCN(C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)N)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O2/c1-2-30-27(33)28(19-21-9-4-3-5-10-21)15-8-16-31(20-28)26(32)25(29)18-22-13-14-23-11-6-7-12-24(23)17-22/h3-7,9-14,17,25H,2,8,15-16,18-20,29H2,1H3,(H,30,33)/t25?,28-/m0/s1