tert-butyl 4-[[4-[2-[(4-methoxyphenyl)carbonyl-phenyl-amino]ethanoyl]piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[2-[(4-methoxyphenyl)carbonyl-phenyl-amino]ethanoyl]piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[2-(N-(4-methoxybenzoyl)anilino)acetyl]piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[2-(N-[(4-methoxyphenyl)-oxomethyl]anilino)-1-oxoethyl]-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[2-(N-(4-methoxybenzoyl)anilino)acetyl]piperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[2-(N-p-anisoylanilino)acetyl]piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H42N4O5 MolecularWeight: 550.68898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C31H42N4O5/c1-31(2,3)40-30(38)34-16-14-24(15-17-34)22-32-18-20-33(21-19-32)28(36)23-35(26-8-6-5-7-9-26)29(37)25-10-12-27(39-4)13-11-25/h5-13,24H,14-23H2,1-4H3