(phenylmethyl) 3-[(2S)-2-(dimethylaminomethyl)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)-3-prop-2-enoxy-propyl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(2S)-2-(dimethylaminomethyl)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)-3-prop-2-enoxy-propyl]indole-1-carboxylate Openeye Name: benzyl 3-[(2S)-3-allyloxy-2-(benzyloxycarbonylamino)-2-(dimethylaminomethyl)-3-oxo-propyl]indole-1-carboxylate CAS Name: 3-[(2S)-2-(dimethylaminomethyl)-3-oxo-2-(phenylmethoxycarbonylamino)-3-prop-2-enoxypropyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2S)-2-(dimethylaminomethyl)-3-oxo-2-(phenylmethoxycarbonylamino)-3-prop-2-enoxypropyl]indole-1-carboxylate Traditional Name: 3-[(2S)-3-allyloxy-2-(benzyloxycarbonylamino)-2-(dimethylaminomethyl)-3-keto-propyl]indole-1-carboxylic acid benzyl ester Formula: C33H35N3O6 MolecularWeight: 569.6475

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CC1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)(C(=O)OCC=C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN(C)C[C@@](CC1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)(C(=O)OCC=C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H35N3O6/c1-4-19-40-30(37)33(24-35(2)3,34-31(38)41-22-25-13-7-5-8-14-25)20-27-21-36(29-18-12-11-17-28(27)29)32(39)42-23-26-15-9-6-10-16-26/h4-18,21H,1,19-20,22-24H2,2-3H3,(H,34,38)/t33-/m0/s1