4-[ethylamino-[4-(1H-pyrazol-5-yl)butyl]carbamoyl]-3-(4-propanoylphenyl)carbonyl-benzoic acid

Systemtic Name: 4-[ethylamino-[4-(1H-pyrazol-5-yl)butyl]carbamoyl]-3-(4-propanoylphenyl)carbonyl-benzoic acid Openeye Name: 4-[ethylamino-[4-(1H-pyrazol-5-yl)butyl]carbamoyl]-3-(4-propanoylbenzoyl)benzoic acid CAS Name: 4-[[ethylamino-[4-(1H-pyrazol-5-yl)butyl]amino]-oxomethyl]-3-[oxo-[4-(1-oxopropyl)phenyl]methyl]benzoic acid IUPAC Name: 4-[ethylamino-[4-(1H-pyrazol-5-yl)butyl]carbamoyl]-3-(4-propanoylbenzoyl)benzoic acid Traditional Name: 4-[ethylamino-[4-(1H-pyrazol-5-yl)butyl]carbamoyl]-3-(4-propionylbenzoyl)benzoic acid Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)N(CCCCC3=CC=NN3)NCC

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)N(CCCCC3=CC=NN3)NCC

InChI

InChI=1S/C27H30N4O5/c1-3-24(32)18-8-10-19(11-9-18)25(33)23-17-20(27(35)36)12-13-22(23)26(34)31(29-4-2)16-6-5-7-21-14-15-28-30-21/h8-15,17,29H,3-7,16H2,1-2H3,(H,28,30)(H,35,36)