1-[3-(aminomethyl)-4-methoxy-2-methyl-4-oxidanylidene-1-phenyl-3-(phenylmethyl)butan-2-yl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[3-(aminomethyl)-4-methoxy-2-methyl-4-oxidanylidene-1-phenyl-3-(phenylmethyl)butan-2-yl]cyclopentane-1-carboxylic acid Openeye Name: 1-[2-(aminomethyl)-1,2-dibenzyl-3-methoxy-1-methyl-3-oxo-propyl]cyclopentanecarboxylic acid CAS Name: 1-[3-(aminomethyl)-4-methoxy-2-methyl-4-oxo-1-phenyl-3-(phenylmethyl)butan-2-yl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[3-(aminomethyl)-3-benzyl-4-methoxy-2-methyl-4-oxo-1-phenylbutan-2-yl]cyclopentane-1-carboxylic acid Traditional Name: 1-[2-(aminomethyl)-1,2-dibenzyl-3-keto-3-methoxy-1-methyl-propyl]cyclopentanecarboxylic acid Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C2(CCCC2)C(=O)O)C(CC3=CC=CC=C3)(CN)C(=O)OC

Isomeric SMILES

CC(CC1=CC=CC=C1)(C2(CCCC2)C(=O)O)C(CC3=CC=CC=C3)(CN)C(=O)OC

InChI

InChI=1S/C26H33NO4/c1-24(17-20-11-5-3-6-12-20,25(22(28)29)15-9-10-16-25)26(19-27,23(30)31-2)18-21-13-7-4-8-14-21/h3-8,11-14H,9-10,15-19,27H2,1-2H3,(H,28,29)