4-[2-[(4-methoxy-4-oxidanylidene-butan-2-yl)-(phenylmethyl)amino]ethanoyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid

Systemtic Name: 4-[2-[(4-methoxy-4-oxidanylidene-butan-2-yl)-(phenylmethyl)amino]ethanoyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid Openeye Name: 4-[2-[benzyl-(3-methoxy-1-methyl-3-oxo-propyl)amino]acetyl]-7-benzyloxy-1H-indole-2-carboxylic acid CAS Name: 4-[2-[(4-methoxy-4-oxobutan-2-yl)-(phenylmethyl)amino]-1-oxoethyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid IUPAC Name: 4-[2-[benzyl-(4-methoxy-4-oxobutan-2-yl)amino]acetyl]-7-phenylmethoxy-1H-indole-2-carboxylic acid Traditional Name: 7-benzoxy-4-[2-[benzyl-(3-keto-3-methoxy-1-methyl-propyl)amino]acetyl]-1H-indole-2-carboxylic acid Formula: C30H30N2O6 MolecularWeight: 514.569

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)N(CC1=CC=CC=C1)CC(=O)C2=C3C=C(NC3=C(C=C2)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(CC(=O)OC)N(CC1=CC=CC=C1)CC(=O)C2=C3C=C(NC3=C(C=C2)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H30N2O6/c1-20(15-28(34)37-2)32(17-21-9-5-3-6-10-21)18-26(33)23-13-14-27(38-19-22-11-7-4-8-12-22)29-24(23)16-25(31-29)30(35)36/h3-14,16,20,31H,15,17-19H2,1-2H3,(H,35,36)