2-[1-(2-azanylpropanoyl)-4-cyano-2,2-dimethyl-3-naphthalen-2-yl-3-(phenylcarbonyl)piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-(2-azanylpropanoyl)-4-cyano-2,2-dimethyl-3-naphthalen-2-yl-3-(phenylcarbonyl)piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-(2-aminopropanoyl)-3-benzoyl-4-cyano-2,2-dimethyl-3-(2-naphthyl)-4-piperidyl]acetic acid CAS Name: 2-[1-(2-amino-1-oxopropyl)-3-benzoyl-4-cyano-2,2-dimethyl-3-(2-naphthalenyl)-4-piperidinyl]acetic acid IUPAC Name: 2-[1-(2-aminopropanoyl)-3-benzoyl-4-cyano-2,2-dimethyl-3-naphthalen-2-ylpiperidin-4-yl]acetic acid Traditional Name: 2-[1-alanyl-3-benzoyl-4-cyano-2,2-dimethyl-3-(2-naphthyl)-4-piperidyl]acetic acid Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(C(C1(C)C)(C2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4)(CC(=O)O)C#N)N

Isomeric SMILES

CC(C(=O)N1CCC(C(C1(C)C)(C2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4)(CC(=O)O)C#N)N

InChI

InChI=1S/C30H31N3O4/c1-20(32)27(37)33-16-15-29(19-31,18-25(34)35)30(28(33,2)3,26(36)22-10-5-4-6-11-22)24-14-13-21-9-7-8-12-23(21)17-24/h4-14,17,20H,15-16,18,32H2,1-3H3,(H,34,35)