ethyl 1-(1,3-benzodioxol-5-ylcarbamoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylcarbamoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-ylcarbamoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-ylcarbamoyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-ylcarbamoyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC3=C(C=C2)OCO3)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC3=C(C=C2)OCO3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O5/c1-2-30-23(28)25(12-6-9-19-7-4-3-5-8-19)13-15-27(16-14-25)24(29)26-20-10-11-21-22(17-20)32-18-31-21/h3-5,7-8,10-11,17H,2,6,9,12-16,18H2,1H3,(H,26,29)