4-[2-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]indol-1-yl]butanoic acid

Systemtic Name: 4-[2-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]indol-1-yl]butanoic acid Openeye Name: 4-[2-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]indol-1-yl]butanoic acid CAS Name: 4-[2-[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]-1-indolyl]butanoic acid IUPAC Name: 4-[2-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]indol-1-yl]butanoic acid Traditional Name: 4-[2-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]indol-1-yl]butyric acid Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3CCCC(=O)O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3CCCC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O4/c1-32-23-15-8-6-13-21(23)26(19-10-3-2-4-11-19)30-27(29(32)37)31-28(36)24-18-20-12-5-7-14-22(20)33(24)17-9-16-25(34)35/h2-8,10-15,18,27H,9,16-17H2,1H3,(H,31,36)(H,34,35)