2-azanyl-4,4-dimethyl-5-[6-naphthalen-1-yl-6-(pyridin-2-ylmethylamino)cyclohexa-2,4-dien-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-4,4-dimethyl-5-[6-naphthalen-1-yl-6-(pyridin-2-ylmethylamino)cyclohexa-2,4-dien-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-4,4-dimethyl-5-[6-(1-naphthyl)-6-(2-pyridylmethylamino)cyclohexa-2,4-dien-1-yl]-5-oxo-pentanoic acid CAS Name: 2-amino-4,4-dimethyl-5-[6-(1-naphthalenyl)-6-(2-pyridinylmethylamino)-1-cyclohexa-2,4-dienyl]-5-oxopentanoic acid IUPAC Name: 2-amino-4,4-dimethyl-5-[6-naphthalen-1-yl-6-(pyridin-2-ylmethylamino)cyclohexa-2,4-dien-1-yl]-5-oxopentanoic acid Traditional Name: 2-amino-5-keto-4,4-dimethyl-5-[6-(1-naphthyl)-6-(2-pyridylmethylamino)cyclohexa-2,4-dien-1-yl]valeric acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)O)N)C(=O)C1C=CC=CC1(C2=CC=CC3=CC=CC=C32)NCC4=CC=CC=N4

Isomeric SMILES

CC(C)(CC(C(=O)O)N)C(=O)C1C=CC=CC1(C2=CC=CC3=CC=CC=C32)NCC4=CC=CC=N4

InChI

InChI=1S/C29H31N3O3/c1-28(2,18-25(30)27(34)35)26(33)24-14-5-7-16-29(24,32-19-21-12-6-8-17-31-21)23-15-9-11-20-10-3-4-13-22(20)23/h3-17,24-25,32H,18-19,30H2,1-2H3,(H,34,35)