dimethyl 2-[3-[3-[(phenylmethyl)amino]propyl]-1H-indol-2-yl]propanedioate

Systemtic Name: dimethyl 2-[3-[3-[(phenylmethyl)amino]propyl]-1H-indol-2-yl]propanedioate Openeye Name: dimethyl 2-[3-[3-(benzylamino)propyl]-1H-indol-2-yl]propanedioate CAS Name: 2-[3-[3-[(phenylmethyl)amino]propyl]-1H-indol-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-[3-(benzylamino)propyl]-1H-indol-2-yl]propanedioate Traditional Name: 2-[3-[3-(benzylamino)propyl]-1H-indol-2-yl]malonic acid dimethyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C2=CC=CC=C2N1)CCCNCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C(C2=CC=CC=C2N1)CCCNCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H26N2O4/c1-28-22(26)20(23(27)29-2)21-18(17-11-6-7-13-19(17)25-21)12-8-14-24-15-16-9-4-3-5-10-16/h3-7,9-11,13,20,24-25H,8,12,14-15H2,1-2H3