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

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

CCCCNCC1=CC=C(C=C1)NC(=C2C3=C(C=C(C=C3)C(=O)OC)NC2=O)C4=CC=CC=C4

Isomeric SMILES

CCCCNCC1=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/c1-3-4-16-29-18-19-10-13-22(14-11-19)30-26(20-8-6-5-7-9-20)25-23-15-12-21(28(33)34-2)17-24(23)31-27(25)32/h5-15,17,29-30H,3-4,16,18H2,1-2H3,(H,31,32)/b26-25-