tert-butyl (3S)-3-(acetyloxymethyl)-5-[[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]amino]-6-phenylmethoxy-2,3-dihydroindole-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(acetyloxymethyl)-5-[[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]amino]-6-phenylmethoxy-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl (3S)-3-(acetoxymethyl)-6-benzyloxy-5-[[(E)-3-methoxy-3-oxo-prop-1-enyl]amino]indoline-1-carboxylate CAS Name: (3S)-3-(acetyloxymethyl)-5-[[(E)-3-methoxy-3-oxoprop-1-enyl]amino]-6-phenylmethoxy-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(acetyloxymethyl)-5-[[(E)-3-methoxy-3-oxoprop-1-enyl]amino]-6-phenylmethoxy-2,3-dihydroindole-1-carboxylate Traditional Name: (3S)-3-(acetoxymethyl)-6-benzoxy-5-[[(E)-3-keto-3-methoxy-prop-1-enyl]amino]indoline-1-carboxylic acid tert-butyl ester Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CN(C2=CC(=C(C=C12)NC=CC(=O)OC)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC[C@@H]1CN(C2=CC(=C(C=C12)N/C=C/C(=O)OC)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H32N2O7/c1-18(30)34-17-20-15-29(26(32)36-27(2,3)4)23-14-24(35-16-19-9-7-6-8-10-19)22(13-21(20)23)28-12-11-25(31)33-5/h6-14,20,28H,15-17H2,1-5H3/b12-11+/t20-/m0/s1