2-dimethylaminoethyl 4-[5-[methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]pentylamino]benzoate

Systemtic Name: 2-dimethylaminoethyl 4-[5-[methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]pentylamino]benzoate Openeye Name: 2-dimethylaminoethyl 4-[5-[(2-anilino-2-oxo-ethyl)-methyl-amino]pentylamino]benzoate CAS Name: 4-[5-[(2-anilino-2-oxoethyl)-methylamino]pentylamino]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[5-[(2-anilino-2-oxoethyl)-methylamino]pentylamino]benzoate Traditional Name: 4-[5-[(2-anilino-2-keto-ethyl)-methyl-amino]pentylamino]benzoic acid 2-dimethylaminoethyl ester Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CC=C(C=C1)NCCCCCN(C)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CN(C)CCOC(=O)C1=CC=C(C=C1)NCCCCCN(C)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C25H36N4O3/c1-28(2)18-19-32-25(31)21-12-14-22(15-13-21)26-16-8-5-9-17-29(3)20-24(30)27-23-10-6-4-7-11-23/h4,6-7,10-15,26H,5,8-9,16-20H2,1-3H3,(H,27,30)