2-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenyl-propyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenyl-propyl]carbamoyl]benzoic acid Openeye Name: 2-[[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propyl]carbamoyl]benzoic acid CAS Name: 2-[[[(3S)-3-[(4S)-2,2-dimethyl-4-oxanyl]-3-phenylpropyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]carbamoyl]benzoic acid Traditional Name: 2-[[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propyl]carbamoyl]benzoic acid Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(CCNC(=O)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C[C@H](CCO1)[C@H](CCNC(=O)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C24H29NO4/c1-24(2)16-18(13-15-29-24)19(17-8-4-3-5-9-17)12-14-25-22(26)20-10-6-7-11-21(20)23(27)28/h3-11,18-19H,12-16H2,1-2H3,(H,25,26)(H,27,28)/t18-,19+/m0/s1