methyl 4-[C-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-N-phenyl-carbonimidoyl]benzoate

Systemtic Name: methyl 4-[C-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-N-phenyl-carbonimidoyl]benzoate Openeye Name: methyl 4-[C-[(2S,5R)-4-allyl-2,5-dimethyl-piperazin-1-yl]-N-phenyl-carbonimidoyl]benzoate CAS Name: 4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-phenyliminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[C-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-N-phenylcarbonimidoyl]benzoate Traditional Name: 4-[C-[(2S,5R)-4-allyl-2,5-dimethyl-piperazino]-N-phenyl-carbonimidoyl]benzoic acid methyl ester Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C)CC=C

Isomeric SMILES

C[C@H]1CN([C@@H](CN1C(=NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C)CC=C

InChI

InChI=1S/C24H29N3O2/c1-5-15-26-16-19(3)27(17-18(26)2)23(25-22-9-7-6-8-10-22)20-11-13-21(14-12-20)24(28)29-4/h5-14,18-19H,1,15-17H2,2-4H3/t18-,19+/m1/s1