2-[3-[tert-butyl-[(3-methoxyphenyl)carbamoyl]amino]-7-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[tert-butyl-[(3-methoxyphenyl)carbamoyl]amino]-7-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[tert-butyl-[(3-methoxyphenyl)carbamoyl]amino]-7-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[tert-butyl-[(3-methoxyanilino)-oxomethyl]amino]-7-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[tert-butyl-[(3-methoxyphenyl)carbamoyl]amino]-7-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[tert-butyl-[(3-methoxyphenyl)carbamoyl]amino]-2-keto-7-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C31H35N3O5 MolecularWeight: 529.6267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(CC2C3=CC=CC=C3)N(C(=O)NC4=CC(=CC=C4)OC)C(C)(C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(CC2C3=CC=CC=C3)N(C(=O)NC4=CC(=CC=C4)OC)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C31H35N3O5/c1-20-14-15-26-25(16-20)24(21-10-7-6-8-11-21)18-27(29(37)33(26)19-28(35)36)34(31(2,3)4)30(38)32-22-12-9-13-23(17-22)39-5/h6-17,24,27H,18-19H2,1-5H3,(H,32,38)(H,35,36)