2-oxidanylidene-3-[(3-pentylphenyl)methyl]-5,6-diphenyl-morpholine-4-carboxylic acid

Systemtic Name: 2-oxidanylidene-3-[(3-pentylphenyl)methyl]-5,6-diphenyl-morpholine-4-carboxylic acid Openeye Name: 2-oxo-3-[(3-pentylphenyl)methyl]-5,6-diphenyl-morpholine-4-carboxylic acid CAS Name: 2-oxo-3-[(3-pentylphenyl)methyl]-5,6-diphenyl-4-morpholinecarboxylic acid IUPAC Name: 2-oxo-3-[(3-pentylphenyl)methyl]-5,6-diphenylmorpholine-4-carboxylic acid Traditional Name: 3-(3-amylbenzyl)-2-keto-5,6-diphenyl-morpholine-4-carboxylic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC(=C1)CC2C(=O)OC(C(N2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1=CC=CC(=C1)CC2C(=O)OC(C(N2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31NO4/c1-2-3-6-12-21-13-11-14-22(19-21)20-25-28(31)34-27(24-17-9-5-10-18-24)26(30(25)29(32)33)23-15-7-4-8-16-23/h4-5,7-11,13-19,25-27H,2-3,6,12,20H2,1H3,(H,32,33)