(3S,4R)-1-(1-adamantylcarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (3S,4R)-1-(1-adamantylcarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: (3S,4R)-1-(adamantane-1-carbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: (3S,4R)-1-[1-adamantyl(oxo)methyl]-4-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (3S,4R)-1-(adamantane-1-carbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: (3S,4R)-1-(adamantane-1-carbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CC2C(=O)O)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CN(C[C@H]2C(=O)O)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29NO4/c1-28-18-4-2-17(3-5-18)19-12-24(13-20(19)21(25)26)22(27)23-9-14-6-15(10-23)8-16(7-14)11-23/h2-5,14-16,19-20H,6-13H2,1H3,(H,25,26)/t14?,15?,16?,19-,20+,23?/m0/s1