(E)-3-[4-[[1-[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepin-10-yl)carbonylamino]cyclopentyl]carbonylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[1-[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepin-10-yl)carbonylamino]cyclopentyl]carbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[1-[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carbonyl)amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[[1-[[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepin-10-yl)-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[1-[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carbonyl)amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[1-[(13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carbonyl)amino]cyclopentanecarbonyl]amino]phenyl]acrylic acid Formula: C39H39N3O4 MolecularWeight: 613.74466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=CC=CC=C4C=CCN3C5=C2C=CC(=C5)C(=O)NC6(CCCC6)C(=O)NC7=CC=C(C=C7)C=CC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=C3C4=CC=CC=C4C=CCN3C5=C2C=CC(=C5)C(=O)NC6(CCCC6)C(=O)NC7=CC=C(C=C7)/C=C/C(=O)O

InChI

InChI=1S/C39H39N3O4/c43-34(44)21-16-26-14-18-30(19-15-26)40-38(46)39(22-6-7-23-39)41-37(45)29-17-20-32-33(25-29)42-24-8-12-27-9-4-5-13-31(27)36(42)35(32)28-10-2-1-3-11-28/h4-5,8-9,12-21,25,28H,1-3,6-7,10-11,22-24H2,(H,40,46)(H,41,45)(H,43,44)/b21-16+