2-acetamido-3-phenyl-propanoic acid; 7-(propan-2-ylamino)-5-thiophen-2-yl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

Systemtic Name: 2-acetamido-3-phenyl-propanoic acid; 7-(propan-2-ylamino)-5-thiophen-2-yl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol Openeye Name: 2-acetamido-3-phenyl-propanoic acid; 7-(isopropylamino)-5-(2-thienyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol CAS Name: 2-acetamido-3-phenylpropanoic acid; 7-(propan-2-ylamino)-5-thiophen-2-yl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol IUPAC Name: 2-acetamido-3-phenylpropanoic acid; 7-(propan-2-ylamino)-5-thiophen-2-yl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol Traditional Name: 2-acetamido-3-phenyl-propionic acid; 7-(isopropylamino)-5-(2-thienyl)-6,7,8,9-tetrahydrobenzocyclohepten-5-ol Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1CCC2=CC=CC=C2C(C1)(C3=CC=CS3)O.CC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)NC1CCC2=CC=CC=C2C(C1)(C3=CC=CS3)O.CC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H23NOS.C11H13NO3/c1-13(2)19-15-10-9-14-6-3-4-7-16(14)18(20,12-15)17-8-5-11-21-17;1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h3-8,11,13,15,19-20H,9-10,12H2,1-2H3;2-6,10H,7H2,1H3,(H,12,13)(H,14,15)