(phenylmethyl) 3-[(1S)-2-azanyl-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylate

Systemtic Name: (phenylmethyl) 3-[(1S)-2-azanyl-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylate Openeye Name: benzyl 3-[(1S)-2-amino-1-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-1-methyl-indole-6-carboxylate CAS Name: 3-[(1S)-2-amino-1-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-methyl-6-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(1S)-2-amino-1-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-methylindole-6-carboxylate Traditional Name: 3-[(1S)-2-amino-1-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-1-methyl-indole-6-carboxylic acid benzyl ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)OCC3=CC=CC=C3)C(C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)OCC3=CC=CC=C3)[C@H](C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C26H22N2O5/c1-28-13-20(24(25(27)29)17-8-10-22-23(12-17)33-15-32-22)19-9-7-18(11-21(19)28)26(30)31-14-16-5-3-2-4-6-16/h2-13,24H,14-15H2,1H3,(H2,27,29)/t24-/m0/s1