2-[[3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]carbamoyl]benzoic acid CAS Name: 2-[[[3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]carbamoyl]benzoic acid Formula: C24H21NO5 MolecularWeight: 403.42724

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CCNC(=O)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CCNC(=O)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H21NO5/c26-23(19-8-4-5-9-20(19)24(27)28)25-13-12-18(16-6-2-1-3-7-16)17-10-11-21-22(14-17)30-15-29-21/h1-11,14,18H,12-13,15H2,(H,25,26)(H,27,28)