tert-butyl 3-[(3S)-4-methoxy-3-[(4-methylphenyl)amino]-4-oxidanylidene-butyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(3S)-4-methoxy-3-[(4-methylphenyl)amino]-4-oxidanylidene-butyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(3S)-4-methoxy-3-(4-methylanilino)-4-oxo-butyl]indole-1-carboxylate CAS Name: 3-[(3S)-4-methoxy-3-(4-methylanilino)-4-oxobutyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3S)-4-methoxy-3-(4-methylanilino)-4-oxobutyl]indole-1-carboxylate Traditional Name: 3-[(3S)-4-keto-4-methoxy-3-(p-toluidino)butyl]indole-1-carboxylic acid tert-butyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(CCC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N[C@@H](CCC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C25H30N2O4/c1-17-10-13-19(14-11-17)26-21(23(28)30-5)15-12-18-16-27(24(29)31-25(2,3)4)22-9-7-6-8-20(18)22/h6-11,13-14,16,21,26H,12,15H2,1-5H3/t21-/m0/s1