2-[[(3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]carbamoyl]benzoate

Systemtic Name: 2-[[(3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]carbamoyl]benzoate Openeye Name: 2-[[(3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]carbamoyl]benzoate CAS Name: 2-[[[(3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]amino]-oxomethyl]benzoate IUPAC Name: 2-[[(3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]carbamoyl]benzoate Traditional Name: 2-[[(3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]carbamoyl]benzoate Formula: C24H20NO5- MolecularWeight: 402.4193

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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@@H](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)/p-1/t18-/m0/s1