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

Systemtic Name: ethyl 1-[2-[[(E)-5-azanyl-5-methyl-hex-2-enoyl]-methyl-amino]-3-naphthalen-2-yl-propanoyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[(E)-5-amino-5-methyl-hex-2-enoyl]-methyl-amino]-3-(2-naphthyl)propanoyl]-4-benzyl-piperidine-4-carboxylate CAS Name: 1-[2-[[(E)-5-amino-5-methyl-1-oxohex-2-enyl]-methylamino]-3-(2-naphthalenyl)-1-oxopropyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(E)-5-amino-5-methylhex-2-enoyl]-methylamino]-3-naphthalen-2-ylpropanoyl]-4-benzylpiperidine-4-carboxylate Traditional Name: 1-[2-[[(E)-5-amino-5-methyl-hex-2-enoyl]-methyl-amino]-3-(2-naphthyl)propanoyl]-4-benzyl-isonipecotic acid ethyl ester Formula: C36H45N3O4 MolecularWeight: 583.7602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)N(C)C(=O)C=CCC(C)(C)N)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)N(C)C(=O)/C=C/CC(C)(C)N)CC4=CC=CC=C4

InChI

InChI=1S/C36H45N3O4/c1-5-43-34(42)36(26-27-12-7-6-8-13-27)20-22-39(23-21-36)33(41)31(38(4)32(40)16-11-19-35(2,3)37)25-28-17-18-29-14-9-10-15-30(29)24-28/h6-18,24,31H,5,19-23,25-26,37H2,1-4H3/b16-11+