tert-butyl 3-[(2S)-2-benzamido-3-oxidanylidene-3-prop-2-ynoxy-propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S)-2-benzamido-3-oxidanylidene-3-prop-2-ynoxy-propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-2-benzamido-3-oxo-3-prop-2-ynoxy-propyl]indole-1-carboxylate CAS Name: 3-[(2S)-2-benzamido-3-oxo-3-prop-2-ynoxypropyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S)-2-benzamido-3-oxo-3-prop-2-ynoxypropyl]indole-1-carboxylate Traditional Name: 3-[(2S)-2-benzamido-3-keto-3-propargyloxy-propyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)OCC#C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)OCC#C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O5/c1-5-15-32-24(30)21(27-23(29)18-11-7-6-8-12-18)16-19-17-28(25(31)33-26(2,3)4)22-14-10-9-13-20(19)22/h1,6-14,17,21H,15-16H2,2-4H3,(H,27,29)/t21-/m0/s1