[[7-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-7-phenyl-heptanoyl]amino] benzoate

Systemtic Name: [[7-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-7-phenyl-heptanoyl]amino] benzoate Openeye Name: [[7-(3-methyl-1,4-dioxo-2-naphthyl)-7-phenyl-heptanoyl]amino] benzoate CAS Name: benzoic acid [[7-(3-methyl-1,4-dioxo-2-naphthalenyl)-1-oxo-7-phenylheptyl]amino] ester IUPAC Name: [[7-(3-methyl-1,4-dioxonaphthalen-2-yl)-7-phenylheptanoyl]amino] benzoate Traditional Name: benzoic acid [[7-(1,4-diketo-3-methyl-2-naphthyl)-7-phenyl-heptanoyl]amino] ester Formula: C31H29NO5 MolecularWeight: 495.56566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)C(CCCCCC(=O)NOC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)C(CCCCCC(=O)NOC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H29NO5/c1-21-28(30(35)26-19-12-11-18-25(26)29(21)34)24(22-13-5-2-6-14-22)17-9-4-10-20-27(33)32-37-31(36)23-15-7-3-8-16-23/h2-3,5-8,11-16,18-19,24H,4,9-10,17,20H2,1H3,(H,32,33)