2-[1-[2-[(4-methoxyphenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[(4-methoxyphenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]ethanoic acid Openeye Name: 2-[1-[2-(N-isopropyl-4-methoxy-anilino)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetic acid CAS Name: 2-[1-[2-(4-methoxy-N-propan-2-ylanilino)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetic acid IUPAC Name: 2-[1-[2-(4-methoxy-N-propan-2-ylanilino)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetic acid Traditional Name: 2-[1-[2-(N-isopropyl-4-methoxy-anilino)-2-keto-ethyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]acetic acid Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-19(2)32(21-13-15-22(37-3)16-14-21)26(33)18-31-25-12-8-7-11-23(25)28(20-9-5-4-6-10-20)30-24(29(31)36)17-27(34)35/h4-16,19,24H,17-18H2,1-3H3,(H,34,35)