tert-butyl 3-[(2R)-3-ethoxy-3-oxidanylidene-2-[(phenylmethyl)amino]propyl]-5-methoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2R)-3-ethoxy-3-oxidanylidene-2-[(phenylmethyl)amino]propyl]-5-methoxy-indole-1-carboxylate Openeye Name: tert-butyl 3-[(2R)-2-(benzylamino)-3-ethoxy-3-oxo-propyl]-5-methoxy-indole-1-carboxylate CAS Name: 3-[(2R)-3-ethoxy-3-oxo-2-[(phenylmethyl)amino]propyl]-5-methoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2R)-2-(benzylamino)-3-ethoxy-3-oxopropyl]-5-methoxyindole-1-carboxylate Traditional Name: 3-[(2R)-2-(benzylamino)-3-ethoxy-3-keto-propyl]-5-methoxy-indole-1-carboxylic acid tert-butyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN(C2=C1C=C(C=C2)OC)C(=O)OC(C)(C)C)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CN(C2=C1C=C(C=C2)OC)C(=O)OC(C)(C)C)NCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5/c1-6-32-24(29)22(27-16-18-10-8-7-9-11-18)14-19-17-28(25(30)33-26(2,3)4)23-13-12-20(31-5)15-21(19)23/h7-13,15,17,22,27H,6,14,16H2,1-5H3/t22-/m1/s1