tert-butyl 6-(aminomethyl)-3-methoxy-2-[2-oxidanylidene-2-[4-(quinolin-2-ylmethyl)piperazin-1-yl]ethoxy]benzoate

Systemtic Name: tert-butyl 6-(aminomethyl)-3-methoxy-2-[2-oxidanylidene-2-[4-(quinolin-2-ylmethyl)piperazin-1-yl]ethoxy]benzoate Openeye Name: tert-butyl 6-(aminomethyl)-3-methoxy-2-[2-oxo-2-[4-(2-quinolylmethyl)piperazin-1-yl]ethoxy]benzoate CAS Name: 6-(aminomethyl)-3-methoxy-2-[2-oxo-2-[4-(2-quinolinylmethyl)-1-piperazinyl]ethoxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 6-(aminomethyl)-3-methoxy-2-[2-oxo-2-[4-(quinolin-2-ylmethyl)piperazin-1-yl]ethoxy]benzoate Traditional Name: 6-(aminomethyl)-2-[2-keto-2-[4-(2-quinolylmethyl)piperazino]ethoxy]-3-methoxy-benzoic acid tert-butyl ester Formula: C29H36N4O5 MolecularWeight: 520.61994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C=C3)OC)CN

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C=C3)OC)CN

InChI

InChI=1S/C29H36N4O5/c1-29(2,3)38-28(35)26-21(17-30)10-12-24(36-4)27(26)37-19-25(34)33-15-13-32(14-16-33)18-22-11-9-20-7-5-6-8-23(20)31-22/h5-12H,13-19,30H2,1-4H3