methyl 3-[[3-[3-[(3-methylpiperazin-1-yl)methyl]phenyl]phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[3-[3-[(3-methylpiperazin-1-yl)methyl]phenyl]phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-[3-[(3-methylpiperazin-1-yl)methyl]phenyl]phenyl]methylcarbamoyl]benzoate CAS Name: 3-[[[3-[3-[(3-methyl-1-piperazinyl)methyl]phenyl]phenyl]methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[3-[(3-methylpiperazin-1-yl)methyl]phenyl]phenyl]methylcarbamoyl]benzoate Traditional Name: 3-[[3-[3-[(3-methylpiperazino)methyl]phenyl]benzyl]carbamoyl]benzoic acid methyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CC1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C28H31N3O3/c1-20-18-31(13-12-29-20)19-22-7-4-9-24(15-22)23-8-3-6-21(14-23)17-30-27(32)25-10-5-11-26(16-25)28(33)34-2/h3-11,14-16,20,29H,12-13,17-19H2,1-2H3,(H,30,32)