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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(CC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

C1COCCN1CCCNC(CC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

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