(phenylmethyl) 3-[(2S)-3-methoxy-2-(methoxycarbonylamino)-3-oxidanylidene-propyl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(2S)-3-methoxy-2-(methoxycarbonylamino)-3-oxidanylidene-propyl]indole-1-carboxylate Openeye Name: benzyl 3-[(2S)-3-methoxy-2-(methoxycarbonylamino)-3-oxo-propyl]indole-1-carboxylate CAS Name: 3-[(2S)-3-methoxy-2-(methoxycarbonylamino)-3-oxopropyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2S)-3-methoxy-2-(methoxycarbonylamino)-3-oxopropyl]indole-1-carboxylate Traditional Name: 3-[(2S)-2-(carbomethoxyamino)-3-keto-3-methoxy-propyl]indole-1-carboxylic acid benzyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)NC(=O)OC

Isomeric SMILES

COC(=O)[C@H](CC1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)NC(=O)OC

InChI

InChI=1S/C22H22N2O6/c1-28-20(25)18(23-21(26)29-2)12-16-13-24(19-11-7-6-10-17(16)19)22(27)30-14-15-8-4-3-5-9-15/h3-11,13,18H,12,14H2,1-2H3,(H,23,26)/t18-/m0/s1