tert-butyl 3-[4-[2-[(4-methoxyphenyl)methyl-phenyl-amino]ethanoyl]piperazin-1-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[2-[(4-methoxyphenyl)methyl-phenyl-amino]ethanoyl]piperazin-1-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[2-[N-[(4-methoxyphenyl)methyl]anilino]acetyl]piperazin-1-yl]pyrrolidine-1-carboxylate CAS Name: 3-[4-[2-[N-[(4-methoxyphenyl)methyl]anilino]-1-oxoethyl]-1-piperazinyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[2-[N-[(4-methoxyphenyl)methyl]anilino]acetyl]piperazin-1-yl]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[2-(N-p-anisylanilino)acetyl]piperazino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N2CCN(CC2)C(=O)CN(CC3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)N2CCN(CC2)C(=O)CN(CC3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C29H40N4O4/c1-29(2,3)37-28(35)32-15-14-25(21-32)30-16-18-31(19-17-30)27(34)22-33(24-8-6-5-7-9-24)20-23-10-12-26(36-4)13-11-23/h5-13,25H,14-22H2,1-4H3