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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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