[(2S)-1-[2-(3-chloranylpiperidin-1-yl)ethylamino]-3-methyl-1-oxidanylidene-but-3-en-2-yl] 3-methoxy-5-methyl-naphthalene-1-carboxylate

Systemtic Name: [(2S)-1-[2-(3-chloranylpiperidin-1-yl)ethylamino]-3-methyl-1-oxidanylidene-but-3-en-2-yl] 3-methoxy-5-methyl-naphthalene-1-carboxylate Openeye Name: [(1S)-1-[2-(3-chloro-1-piperidyl)ethylcarbamoyl]-2-methyl-allyl] 3-methoxy-5-methyl-naphthalene-1-carboxylate CAS Name: 3-methoxy-5-methyl-1-naphthalenecarboxylic acid [(2S)-1-[2-(3-chloro-1-piperidinyl)ethylamino]-3-methyl-1-oxobut-3-en-2-yl] ester IUPAC Name: [(2S)-1-[2-(3-chloropiperidin-1-yl)ethylamino]-3-methyl-1-oxobut-3-en-2-yl] 3-methoxy-5-methylnaphthalene-1-carboxylate Traditional Name: 3-methoxy-5-methyl-naphthalene-1-carboxylic acid [(1S)-1-[2-(3-chloropiperidino)ethylcarbamoyl]-2-methyl-allyl] ester Formula: C25H31ClN2O4 MolecularWeight: 458.97764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C=C(C=C12)OC)C(=O)OC(C(=C)C)C(=O)NCCN3CCCC(C3)Cl

Isomeric SMILES

CC1=CC=CC2=C(C=C(C=C12)OC)C(=O)O[C@@H](C(=C)C)C(=O)NCCN3CCCC(C3)Cl

InChI

InChI=1S/C25H31ClN2O4/c1-16(2)23(24(29)27-10-12-28-11-6-8-18(26)15-28)32-25(30)22-14-19(31-4)13-21-17(3)7-5-9-20(21)22/h5,7,9,13-14,18,23H,1,6,8,10-12,15H2,2-4H3,(H,27,29)/t18?,23-/m0/s1