3-(4-benzamidobutyl)-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-(4-benzamidobutyl)-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-(4-benzamidobutyl)-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-(4-benzamidobutyl)-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-(4-benzamidobutyl)-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-(4-benzamidobutyl)-6-isopropyl-azulene-1-carboxylic acid Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCNC(=O)C3=CC=CC=C3)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCNC(=O)C3=CC=CC=C3)C(=O)O)C=C1

InChI

InChI=1S/C25H27NO3/c1-17(2)18-11-13-21-20(16-23(25(28)29)22(21)14-12-18)10-6-7-15-26-24(27)19-8-4-3-5-9-19/h3-5,8-9,11-14,16-17H,6-7,10,15H2,1-2H3,(H,26,27)(H,28,29)