2-[7-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzoxazepin-5-yl]ethanoic acid

Systemtic Name: 2-[7-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3,4-dihydro-2H-1,5-benzoxazepin-5-yl]ethanoic acid Openeye Name: 2-[7-[(5-chloro-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzoxazepin-5-yl]acetic acid CAS Name: 2-[7-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzoxazepin-5-yl]acetic acid IUPAC Name: 2-[7-[(5-chloro-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzoxazepin-5-yl]acetic acid Traditional Name: 2-[7-[(5-chloro-1H-indole-2-carbonyl)amino]-3,4-dihydro-2H-1,5-benzoxazepin-5-yl]acetic acid Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)OC1)CC(=O)O

Isomeric SMILES

C1CN(C2=C(C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)OC1)CC(=O)O

InChI

InChI=1S/C20H18ClN3O4/c21-13-2-4-15-12(8-13)9-16(23-15)20(27)22-14-3-5-18-17(10-14)24(11-19(25)26)6-1-7-28-18/h2-5,8-10,23H,1,6-7,11H2,(H,22,27)(H,25,26)