2-[4-[3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-propyl]piperazin-1-yl]ethyl 2-phenylbutanoate

Systemtic Name: 2-[4-[3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-propyl]piperazin-1-yl]ethyl 2-phenylbutanoate Openeye Name: 2-[4-[3-(2,6-dimethylanilino)-3-oxo-propyl]piperazin-1-yl]ethyl 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid 2-[4-[3-(2,6-dimethylanilino)-3-oxopropyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[3-(2,6-dimethylanilino)-3-oxopropyl]piperazin-1-yl]ethyl 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid 2-[4-[3-(2,6-dimethylanilino)-3-keto-propyl]piperazino]ethyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCCN2CCN(CC2)CCC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCCN2CCN(CC2)CCC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C27H37N3O3/c1-4-24(23-11-6-5-7-12-23)27(32)33-20-19-30-17-15-29(16-18-30)14-13-25(31)28-26-21(2)9-8-10-22(26)3/h5-12,24H,4,13-20H2,1-3H3,(H,28,31)