ethyl 4-[[1,3-benzodioxol-5-ylmethyl-[3-(2-methylpiperidin-1-yl)propyl]carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl-[3-(2-methylpiperidin-1-yl)propyl]carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl-[3-(2-methyl-1-piperidyl)propyl]carbamoyl]amino]benzoate CAS Name: 4-[[[1,3-benzodioxol-5-ylmethyl-[3-(2-methyl-1-piperidinyl)propyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl-[3-(2-methylpiperidin-1-yl)propyl]carbamoyl]amino]benzoate Traditional Name: 4-[[3-(2-methylpiperidino)propyl-piperonyl-carbamoyl]amino]benzoic acid ethyl ester Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCCN2CCCCC2C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCCN2CCCCC2C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H35N3O5/c1-3-33-26(31)22-9-11-23(12-10-22)28-27(32)30(16-6-15-29-14-5-4-7-20(29)2)18-21-8-13-24-25(17-21)35-19-34-24/h8-13,17,20H,3-7,14-16,18-19H2,1-2H3,(H,28,32)