1-[2-[[(E)-5-azanyl-5-methyl-hex-2-enoyl]-methyl-amino]-3-naphthalen-2-yl-propanoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[[(E)-5-azanyl-5-methyl-hex-2-enoyl]-methyl-amino]-3-naphthalen-2-yl-propanoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-[2-[[(E)-5-amino-5-methyl-hex-2-enoyl]-methyl-amino]-3-(2-naphthyl)propanoyl]-4-benzyl-piperidine-4-carboxylic acid CAS Name: 1-[2-[[(E)-5-amino-5-methyl-1-oxohex-2-enyl]-methylamino]-3-(2-naphthalenyl)-1-oxopropyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[(E)-5-amino-5-methylhex-2-enoyl]-methylamino]-3-naphthalen-2-ylpropanoyl]-4-benzylpiperidine-4-carboxylic acid Traditional Name: 1-[2-[[(E)-5-amino-5-methyl-hex-2-enoyl]-methyl-amino]-3-(2-naphthyl)propanoyl]-4-benzyl-isonipecotic acid Formula: C34H41N3O4 MolecularWeight: 555.70704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N3CCC(CC3)(CC4=CC=CC=C4)C(=O)O)N

Isomeric SMILES

CC(C)(C/C=C/C(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N3CCC(CC3)(CC4=CC=CC=C4)C(=O)O)N

InChI

InChI=1S/C34H41N3O4/c1-33(2,35)17-9-14-30(38)36(3)29(23-26-15-16-27-12-7-8-13-28(27)22-26)31(39)37-20-18-34(19-21-37,32(40)41)24-25-10-5-4-6-11-25/h4-16,22,29H,17-21,23-24,35H2,1-3H3,(H,40,41)/b14-9+