methyl 3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]benzoate CAS Name: 3-[oxo-[[3-[3-(1-piperazinylmethyl)phenyl]phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]benzoate Traditional Name: 3-[[3-[3-(piperazinomethyl)phenyl]benzyl]carbamoyl]benzoic acid methyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4CCNCC4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4CCNCC4

InChI

InChI=1S/C27H29N3O3/c1-33-27(32)25-10-4-9-24(17-25)26(31)29-18-20-5-2-7-22(15-20)23-8-3-6-21(16-23)19-30-13-11-28-12-14-30/h2-10,15-17,28H,11-14,18-19H2,1H3,(H,29,31)