methyl 3-[[4-phenylbutan-2-yl-[2-(piperazin-1-ylmethyl)prop-2-enyl]carbamoyl]amino]benzoate

Systemtic Name: methyl 3-[[4-phenylbutan-2-yl-[2-(piperazin-1-ylmethyl)prop-2-enyl]carbamoyl]amino]benzoate Openeye Name: methyl 3-[[(1-methyl-3-phenyl-propyl)-[2-(piperazin-1-ylmethyl)allyl]carbamoyl]amino]benzoate CAS Name: 3-[[oxo-[4-phenylbutan-2-yl-[2-(1-piperazinylmethyl)prop-2-enyl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-phenylbutan-2-yl-[2-(piperazin-1-ylmethyl)prop-2-enyl]carbamoyl]amino]benzoate Traditional Name: 3-[[(1-methyl-3-phenyl-propyl)-[2-(piperazinomethyl)allyl]carbamoyl]amino]benzoic acid methyl ester Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N(CC(=C)CN2CCNCC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(CCC1=CC=CC=C1)N(CC(=C)CN2CCNCC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C27H36N4O3/c1-21(19-30-16-14-28-15-17-30)20-31(22(2)12-13-23-8-5-4-6-9-23)27(33)29-25-11-7-10-24(18-25)26(32)34-3/h4-11,18,22,28H,1,12-17,19-20H2,2-3H3,(H,29,33)