methyl 4-[[4-[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-furylmethyl(isopropylcarbamoyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-furanylmethyl-[oxo-(propan-2-ylamino)methyl]amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-furfuryl(isopropylcarbamoyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CC1=CC=CO1)C2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)NC(=O)N(CC1=CC=CO1)C2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H31N3O4/c1-17(2)24-23(28)26(16-21-5-4-14-30-21)20-10-12-25(13-11-20)15-18-6-8-19(9-7-18)22(27)29-3/h4-9,14,17,20H,10-13,15-16H2,1-3H3,(H,24,28)