2-(3-morpholin-4-ylpropylamino)-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(3-morpholin-4-ylpropylamino)-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-(3-morpholinopropylamino)-4-(1-naphthylamino)-4-oxo-butanoic acid CAS Name: 2-[3-(4-morpholinyl)propylamino]-4-(1-naphthalenylamino)-4-oxobutanoic acid IUPAC Name: 2-(3-morpholin-4-ylpropylamino)-4-(naphthalen-1-ylamino)-4-oxobutanoic acid Traditional Name: 4-keto-2-(3-morpholinopropylamino)-4-(1-naphthylamino)butyric acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1COCCN1CCCNC(CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H27N3O4/c25-20(23-18-8-3-6-16-5-1-2-7-17(16)18)15-19(21(26)27)22-9-4-10-24-11-13-28-14-12-24/h1-3,5-8,19,22H,4,9-15H2,(H,23,25)(H,26,27)