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

Systemtic Name: dimethyl 2-[3-[2-[(phenylmethyl)amino]ethyl]-1H-indol-2-yl]propanedioate Openeye Name: dimethyl 2-[3-[2-(benzylamino)ethyl]-1H-indol-2-yl]propanedioate CAS Name: 2-[3-[2-[(phenylmethyl)amino]ethyl]-1H-indol-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-[2-(benzylamino)ethyl]-1H-indol-2-yl]propanedioate Traditional Name: 2-[3-[2-(benzylamino)ethyl]-1H-indol-2-yl]malonic acid dimethyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C2=CC=CC=C2N1)CCNCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C(C2=CC=CC=C2N1)CCNCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H24N2O4/c1-27-21(25)19(22(26)28-2)20-17(16-10-6-7-11-18(16)24-20)12-13-23-14-15-8-4-3-5-9-15/h3-11,19,23-24H,12-14H2,1-2H3