dimethyl 2-[[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]amino]butanedioate

Systemtic Name: dimethyl 2-[[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]amino]butanedioate Openeye Name: dimethyl 2-[[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]amino]butanedioate CAS Name: 2-[[1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]amino]butanedioate Traditional Name: 2-[[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]amino]succinic acid dimethyl ester Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)NC1CCN(CC1)C2=CC(=CC=C2)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(C(=O)OC)NC1CCN(CC1)C2=CC(=CC=C2)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O5/c1-34-26(32)19-24(27(33)35-2)28-21-14-16-30(17-15-21)23-12-7-11-22(18-23)29-25(31)13-6-10-20-8-4-3-5-9-20/h3-5,7-9,11-12,18,21,24,28H,6,10,13-17,19H2,1-2H3,(H,29,31)