tert-butyl 5-[[(E)-(2-oxidanylidene-1H-indol-3-ylidene)-phenyl-methyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 5-[[(E)-(2-oxidanylidene-1H-indol-3-ylidene)-phenyl-methyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 5-[[(E)-(2-oxoindolin-3-ylidene)-phenyl-methyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-[[(E)-(2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[(E)-(2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-[[(E)-(2-ketoindolin-3-ylidene)-phenyl-methyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2NC(=C3C4=CC=CC=C4NC3=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2N/C(=C/3\C4=CC=CC=C4NC3=O)/C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3/c1-29(2,3)35-28(34)32-17-16-21-20(18-32)12-9-15-23(21)30-26(19-10-5-4-6-11-19)25-22-13-7-8-14-24(22)31-27(25)33/h4-15,30H,16-18H2,1-3H3,(H,31,33)/b26-25+