O2-[3-(2-azanylethyl)-1H-indol-5-yl] O1-(phenylmethyl) benzene-1,2-dicarboxylate; ethanoic acid

Systemtic Name: O2-[3-(2-azanylethyl)-1H-indol-5-yl] O1-(phenylmethyl) benzene-1,2-dicarboxylate; ethanoic acid Openeye Name: acetic acid; O2-[3-(2-aminoethyl)-1H-indol-5-yl] O1-benzyl benzene-1,2-dicarboxylate CAS Name: acetic acid; benzene-1,2-dicarboxylic acid O2-[3-(2-aminoethyl)-1H-indol-5-yl] ester O1-(phenylmethyl) ester IUPAC Name: acetic acid; 2-O-[3-(2-aminoethyl)-1H-indol-5-yl] 1-O-benzyl benzene-1,2-dicarboxylate Traditional Name: acetic acid; benzene-1,2-dicarboxylic acid O2-[3-(2-aminoethyl)-1H-indol-5-yl] ester O1-benzyl ester Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OC3=CC4=C(C=C3)NC=C4CCN

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OC3=CC4=C(C=C3)NC=C4CCN

InChI

InChI=1S/C25H22N2O4.C2H4O2/c26-13-12-18-15-27-23-11-10-19(14-22(18)23)31-25(29)21-9-5-4-8-20(21)24(28)30-16-17-6-2-1-3-7-17;1-2(3)4/h1-11,14-15,27H,12-13,16,26H2;1H3,(H,3,4)