ethyl 4-(cyclopropylmethyl)-1-[(3,6-dimethyl-1-benzofuran-2-yl)carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[(3,6-dimethyl-1-benzofuran-2-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-(3,6-dimethylbenzofuran-2-carbonyl)piperidine-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[(3,6-dimethyl-2-benzofuranyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-(3,6-dimethylbenzofuran-2-carbonyl)isonipecotic acid ethyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(C3=C(O2)C=C(C=C3)C)C)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(C3=C(O2)C=C(C=C3)C)C)CC4CC4

InChI

InChI=1S/C23H29NO4/c1-4-27-22(26)23(14-17-6-7-17)9-11-24(12-10-23)21(25)20-16(3)18-8-5-15(2)13-19(18)28-20/h5,8,13,17H,4,6-7,9-12,14H2,1-3H3