sodium 3-[3-methylbutyl-[2-[(4-phenylphenyl)methyl]piperazin-1-yl]carbonyl-carbamoyl]oxirane-2-carboxylate

Systemtic Name: sodium 3-[3-methylbutyl-[2-[(4-phenylphenyl)methyl]piperazin-1-yl]carbonyl-carbamoyl]oxirane-2-carboxylate Openeye Name: sodium 3-[isopentyl-[2-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium 3-[[3-methylbutyl-[oxo-[2-[(4-phenylphenyl)methyl]-1-piperazinyl]methyl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium 3-[3-methylbutyl-[2-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium 3-[isoamyl-[2-(4-phenylbenzyl)piperazine-1-carbonyl]carbamoyl]oxirane-2-carboxylate Formula: C27H32N3NaO5 MolecularWeight: 501.54985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1C(O1)C(=O)[O-])C(=O)N2CCNCC2CC3=CC=C(C=C3)C4=CC=CC=C4.[Na+]

Isomeric SMILES

CC(C)CCN(C(=O)C1C(O1)C(=O)[O-])C(=O)N2CCNCC2CC3=CC=C(C=C3)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C27H33N3O5.Na/c1-18(2)12-14-30(25(31)23-24(35-23)26(32)33)27(34)29-15-13-28-17-22(29)16-19-8-10-21(11-9-19)20-6-4-3-5-7-20;/h3-11,18,22-24,28H,12-17H2,1-2H3,(H,32,33);/q;+1/p-1