methyl (3Z)-3-[[[4-[(2-methylpropylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indole-6-carboxylate

Systemtic Name: methyl (3Z)-3-[[[4-[(2-methylpropylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indole-6-carboxylate Openeye Name: methyl (3Z)-3-[[4-[(isobutylamino)methyl]anilino]-phenyl-methylene]-2-oxo-indoline-6-carboxylate CAS Name: (3Z)-3-[[4-[(2-methylpropylamino)methyl]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl (3Z)-3-[[4-[(2-methylpropylamino)methyl]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylate Traditional Name: (3Z)-3-[[4-[(isobutylamino)methyl]anilino]-phenyl-methylene]-2-keto-indoline-6-carboxylic acid methyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CC=C(C=C1)NC(=C2C3=C(C=C(C=C3)C(=O)OC)NC2=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CNCC1=CC=C(C=C1)N/C(=C\2/C3=C(C=C(C=C3)C(=O)OC)NC2=O)/C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3/c1-18(2)16-29-17-19-9-12-22(13-10-19)30-26(20-7-5-4-6-8-20)25-23-14-11-21(28(33)34-3)15-24(23)31-27(25)32/h4-15,18,29-30H,16-17H2,1-3H3,(H,31,32)/b26-25-