4-[[4-(diethylamino)phenyl]amino]-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[[4-(diethylamino)phenyl]amino]-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid Openeye Name: 3-(benzylamino)-4-[4-(diethylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(diethylamino)anilino]-4-oxo-3-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-(benzylamino)-4-[4-(diethylamino)anilino]-4-oxobutanoic acid Traditional Name: 3-(benzylamino)-4-[4-(diethylamino)anilino]-4-keto-butyric acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C(CC(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C(CC(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O3/c1-3-24(4-2)18-12-10-17(11-13-18)23-21(27)19(14-20(25)26)22-15-16-8-6-5-7-9-16/h5-13,19,22H,3-4,14-15H2,1-2H3,(H,23,27)(H,25,26)