2-[3-(naphthalen-1-ylmethylamino)-3-oxidanylidene-propyl]-2-phenoxy-propanedioic acid

Systemtic Name: 2-[3-(naphthalen-1-ylmethylamino)-3-oxidanylidene-propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[3-(1-naphthylmethylamino)-3-oxo-propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[3-(1-naphthalenylmethylamino)-3-oxopropyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[3-(naphthalen-1-ylmethylamino)-3-oxopropyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-keto-3-(1-naphthylmethylamino)propyl]-2-phenoxy-malonic acid Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCC(=O)NCC2=CC=CC3=CC=CC=C32)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CCC(=O)NCC2=CC=CC3=CC=CC=C32)(C(=O)O)C(=O)O

InChI

InChI=1S/C23H21NO6/c25-20(24-15-17-9-6-8-16-7-4-5-12-19(16)17)13-14-23(21(26)27,22(28)29)30-18-10-2-1-3-11-18/h1-12H,13-15H2,(H,24,25)(H,26,27)(H,28,29)