3-[2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-3-(naphthalen-2-ylamino)-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 3-[2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-3-(naphthalen-2-ylamino)-3-oxidanylidene-propyl]benzoic acid Openeye Name: 3-[2-(4-ethoxycarbonylpiperazine-1-carbonyl)-3-(2-naphthylamino)-3-oxo-propyl]benzoic acid CAS Name: 3-[2-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]-3-(2-naphthalenylamino)-3-oxopropyl]benzoic acid IUPAC Name: 3-[2-(4-ethoxycarbonylpiperazine-1-carbonyl)-3-(naphthalen-2-ylamino)-3-oxopropyl]benzoic acid Traditional Name: 3-[2-(4-carbethoxypiperazine-1-carbonyl)-3-keto-3-(2-naphthylamino)propyl]benzoic acid Formula: C28H29N3O6 MolecularWeight: 503.54636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=O)O)C(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=O)O)C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H29N3O6/c1-2-37-28(36)31-14-12-30(13-15-31)26(33)24(17-19-6-5-9-22(16-19)27(34)35)25(32)29-23-11-10-20-7-3-4-8-21(20)18-23/h3-11,16,18,24H,2,12-15,17H2,1H3,(H,29,32)(H,34,35)