4-(7,7,10,10-tetramethyl-5-propyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid

Systemtic Name: 4-(7,7,10,10-tetramethyl-5-propyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid Openeye Name: 4-(7,7,10,10-tetramethyl-5-propyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid CAS Name: 4-(7,7,10,10-tetramethyl-5-propyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid IUPAC Name: 4-(7,7,10,10-tetramethyl-5-propyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid Traditional Name: 4-(7,7,10,10-tetramethyl-5-propyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid Formula: C31H34N2O2 MolecularWeight: 466.61386

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC3=C1C=C4C(=C3)C(CCC4(C)C)(C)C)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC3=C1C=C4C(=C3)C(CCC4(C)C)(C)C)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C31H34N2O2/c1-6-17-33-26-10-8-7-9-22(26)28(20-11-13-21(14-12-20)29(34)35)32-25-18-23-24(19-27(25)33)31(4,5)16-15-30(23,2)3/h7-14,18-19H,6,15-17H2,1-5H3,(H,34,35)