1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(ethylcarbamoyl)-2-(phenylmethyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(ethylcarbamoyl)-2-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(ethylcarbamoyl)piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(ethylcarbamoyl)-2-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-(ethylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(ethylcarbamoyl)piperazine-2-carboxylic acid Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(C(C1)(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC

Isomeric SMILES

CCNC(=O)N1CCN(C(C1)(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(C)(C)C)OC

InChI

InChI=1S/C27H35N3O5/c1-6-28-25(34)29-14-15-30(27(18-29,24(32)33)17-19-10-8-7-9-11-19)23(31)20-12-13-21(26(2,3)4)22(16-20)35-5/h7-13,16H,6,14-15,17-18H2,1-5H3,(H,28,34)(H,32,33)